CAS RN: 154743-01-8

Sulfamide, cyclopropyl- (9CI)

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  • Product code: starshine_CAS154743-01-8
  • Purity/Analytical Methods: >99.0%
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154743-01-8 / (sulfamoylamino)cyclopropane

Standard CAS: 154743-01-8 Multi CAS: No

Basic Information

CAS
154743-01-8
Multi CAS
No
Molecular Formula
C3H8N2O2S
Molecular Weight
136.180000
Exact Mass
136.030649
SMILES
C1CC1NS(=O)(=O)N
InChI
InChI=1S/C3H8N2O2S/c4-8(6,7)5-3-1-2-3/h3,5H,1-2H2,(H2,4,6,7)
InChIKey
OOQSKHUOAWDXMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.26
TPSA
72.19

LogP / Solubility

WLOGP
-1.06
MLOGP
-0.94
XLogP3
-0.8
Consensus LogP
-0.93
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
0.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly 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)
-4.3

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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