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CAS 1000932-67-1 1-Sulfamoylpiperidine-4-carboxylic acid molecular structure lightbox
CAS RN: 1000932-67-1

1-Sulfamoylpiperidine-4-carboxylic acid

  • Product code: SSC-000408
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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 1000932-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1000932-67-1 / 1-sulfamoylpiperidine-4-carboxylic acid

1-sulfamoylpiperidine-4-carboxylic acid | 1000932-67-1 | 1-(Aminosulfonyl)-4-piperidinecarboxylic acid

Standard CAS: 1000932-67-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000932-67-1
Multi CAS
No
Molecular Formula
C6H12N2O4S
Molecular Weight
208.240000
Exact Mass
208.051778
SMILES
C1CN(CCC1C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C6H12N2O4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10)(H2,7,11,12)
InChIKey
RHSCFCIWXIKLFP-UHFFFAOYSA-N
Synonyms
1-sulfamoylpiperidine-4-carboxylic acid 1000932-67-1 1-(Aminosulfonyl)-4-piperidinecarboxylic acid DTXSID001255129 RefChem:427008

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.04
TPSA
100.7

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.89
XLogP3
-1.1
Consensus LogP
-1
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.71

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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