CAS RN: 947157-32-6

[S(R)]-N,2-Dimethyl-2-propanesulfinamide

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  • Product code: starshine_CAS947157-32-6
  • Purity/Analytical Methods: >99.0%
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947157-32-6 / N,2-dimethylpropane-2-sulfinamide

Standard CAS: 947157-32-6 Multi CAS: Yes

Basic Information

CAS
947157-32-6
Multi CAS
Yes
Molecular Formula
C5H13NOS
Molecular Weight
135.230000
Exact Mass
135.071785
InChI
InChI=1S/C5H13NOS/c1-5(2,3)8(7)6-4/h6H,1-4H3
InChIKey
RQXUDOCAWHFOMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.96
TPSA
29.1

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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