N-butyl-N-methylsulfamoyl chloride

C5H12ClNO2S — CID 16770019

IUPACN-butyl-N-methylsulfamoyl chloride
SMILESCCCCN(C)S(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3
InChIKeyRSZHWOKYCOLDNK-UHFFFAOYSA-N
MW185.68 g/mol
LogP1.20
Rot. Bonds4

About N-butyl-N-methylsulfamoyl chloride

N-butyl-N-methylsulfamoyl chloride (PubChem CID 16770019) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-butyl-N-methylsulfamoyl chloride.

Molecular Properties

Compound NameN-butyl-N-methylsulfamoyl chloride
PubChem CID16770019
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-butyl-N-methylsulfamoyl chloride
SMILESCCCCN(C)S(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3
InChIKeyRSZHWOKYCOLDNK-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-chloro-N-methylmethanesulfonamide
CID 63666140
lithium N-butyl-N-methylsulfamate
CID 156663385
N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 3332180
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
N-butyl-N-[chloro(dimethyl)-λ4-sulfanyl]butan-1-amine
CID 130246449
N-ethyl-N-[methyl(propan-2-yl)sulfamoyl]butan-1-amine
CID 86989260
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63730547
3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
CID 55007438

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylsulfamoyl chloride?
The IUPAC name of N-butyl-N-methylsulfamoyl chloride (CID 16770019) is N-butyl-N-methylsulfamoyl chloride.
What is the SMILES notation for N-butyl-N-methylsulfamoyl chloride?
The canonical SMILES for N-butyl-N-methylsulfamoyl chloride is CCCCN(C)S(=O)(=O)Cl.
What is the InChIKey of N-butyl-N-methylsulfamoyl chloride?
The InChIKey is RSZHWOKYCOLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3.
What are the key properties of N-butyl-N-methylsulfamoyl chloride?
N-butyl-N-methylsulfamoyl chloride has a molecular weight of 185.68 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylsulfamoyl chloride is sourced from PubChem (CID 16770019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).