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CAS 1206776-00-2 N-(4-aminocyclohexyl)methanesulfonamide hydrochloride molecular structure lightbox
CAS RN: 1206776-00-2

N-(4-aminocyclohexyl)methanesulfonamide hydrochloride

  • Product code: SSC-021748
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1206776-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1206776-00-2 / N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride

N-(4-aminocyclohexyl)methanesulfonamide hydrochloride | RefChem:827118 | 892-694-4

Standard CAS: 1206776-00-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1206776-00-2
Multi CAS
No
Molecular Formula
C7H17ClN2O2S
Molecular Weight
228.740000
Exact Mass
228.069927
SMILES
CS(=O)(=O)NC1CCC(CC1)N.Cl
InChI
InChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-7-4-2-6(8)3-5-7;/h6-7,9H,2-5,8H2,1H3;1H
InChIKey
HCBNNYJYULWEMU-UHFFFAOYSA-N
Synonyms
N-(4-aminocyclohexyl)methanesulfonamide hydrochloride RefChem:827118 892-694-4 MFCD20233459 N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.46
TPSA
72.19

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
0.23
Consensus LogP
0.22
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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