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CAS 1094315-35-1 N-Butyl-N-methylsulfamide molecular structure lightbox
CAS RN: 1094315-35-1

N-Butyl-N-methylsulfamide

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Batchno.20250506 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1094315-35-1
  • Purity/Analytical Methods: >99.0%
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1094315-35-1 / 1-[methyl(sulfamoyl)amino]butane

N-Butyl-N-methylsulfamide | [butyl(methyl)sulfamoyl]amine | 1-[methyl(sulfamoyl)amino]butane

Standard CAS: 1094315-35-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094315-35-1
Multi CAS
No
Molecular Formula
C5H14N2O2S
Molecular Weight
166.240000
Exact Mass
166.077599
SMILES
CCCCN(C)S(=O)(=O)N
InChI
InChI=1S/C5H14N2O2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3,(H2,6,8,9)
InChIKey
OJUCUXBDSOXPGI-UHFFFAOYSA-N
Synonyms
N-Butyl-N-methylsulfamide [butyl(methyl)sulfamoyl]amine 1-[methyl(sulfamoyl)amino]butane SCHEMBL293640 SCHEMBL293641

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.65
TPSA
63.4

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.07
XLogP3
0.1
Consensus LogP
-0.02
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
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)
-3.79

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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