CAS RN: 91893-70-8

2-amino-N,N-dimethylethanesulfonamide

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Batchno.20250925 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS91893-70-8
  • Purity/Analytical Methods: >99.0%
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91893-70-8 / 2-amino-N,N-dimethylethanesulfonamide

Standard CAS: 91893-70-8 Multi CAS: Yes

Basic Information

CAS
91893-70-8
Multi CAS
Yes
Molecular Formula
C4H12N2O2S
Molecular Weight
152.220000
Exact Mass
152.061949
InChI
InChI=1S/C4H12N2O2S/c1-6(2)9(7,8)4-3-5/h3-5H2,1-2H3
InChIKey
RTVWJWNJHGNHTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.53
TPSA
63.4

LogP / Solubility

WLOGP
-1.16
MLOGP
-1.03
XLogP3
-1.4
Consensus LogP
-1.2
Log S (ESOL)
0.15
Class (ESOL)
Highly soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.04
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)
-4.47

Drug-likeness / Medicinal Chemistry

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

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