N-butan-2-yl-N-methylsulfamoyl chloride

C5H12ClNO2S — CID 43272832

IUPACN-butan-2-yl-N-methylsulfamoyl chloride
SMILESCCC(C)N(C)S(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-4-5(2)7(3)10(6,8)9/h5H,4H2,1-3H3
InChIKeyVUTLOAIFSSQAFM-UHFFFAOYSA-N
MW185.68 g/mol
LogP1.20
Rot. Bonds3

About N-butan-2-yl-N-methylsulfamoyl chloride

N-butan-2-yl-N-methylsulfamoyl chloride (PubChem CID 43272832) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-butan-2-yl-N-methylsulfamoyl chloride.

Molecular Properties

Compound NameN-butan-2-yl-N-methylsulfamoyl chloride
PubChem CID43272832
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-butan-2-yl-N-methylsulfamoyl chloride
SMILESCCC(C)N(C)S(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-4-5(2)7(3)10(6,8)9/h5H,4H2,1-3H3
InChIKeyVUTLOAIFSSQAFM-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-methyl-N-propylsulfamoyl chloride
CID 12919367
N,N-dipropylsulfamoyl chloride
CID 16228222
N-butyl-N-methylsulfamoyl chloride
CID 16770019
N-Methyl-N-(1-methylethyl)sulfamoyl chloride
CID 16794766
N-Methyl-N-isopropylsulfamoyl amide
CID 22591025
N-cyclopropyl-N-methylsulfamoyl chloride
CID 22636994
N-Methyl-N-(2-methylpropyl)sulfamoyl chloride
CID 43272017
N-butyl-N-ethylsulfamoyl chloride
CID 16769495
N-cyclopropyl-N-ethylsulfamoyl chloride
CID 43264097
N-ethyl-N-(propan-2-yl)sulfamoyl chloride
CID 43265685
N-ethyl-N-propylsulfamoyl chloride
CID 43268661
N-cyclobutyl-N-methylsulfamoyl chloride
CID 116352063

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methylsulfamoyl chloride?
The IUPAC name of N-butan-2-yl-N-methylsulfamoyl chloride (CID 43272832) is N-butan-2-yl-N-methylsulfamoyl chloride.
What is the SMILES notation for N-butan-2-yl-N-methylsulfamoyl chloride?
The canonical SMILES for N-butan-2-yl-N-methylsulfamoyl chloride is CCC(C)N(C)S(=O)(=O)Cl.
What is the InChIKey of N-butan-2-yl-N-methylsulfamoyl chloride?
The InChIKey is VUTLOAIFSSQAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-4-5(2)7(3)10(6,8)9/h5H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methylsulfamoyl chloride?
N-butan-2-yl-N-methylsulfamoyl chloride has a molecular weight of 185.68 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methylsulfamoyl chloride is sourced from PubChem (CID 43272832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).