N-(3-chloro-2-methylpropyl)methanesulfonamide

C5H12ClNO2S — CID 65036670

IUPACN-(3-chloro-2-methylpropyl)methanesulfonamide
SMILESCC(CCl)CNS(C)(=O)=O
InChIInChI=1S/C5H12ClNO2S/c1-5(3-6)4-7-10(2,8)9/h5,7H,3-4H2,1-2H3
InChIKeyIYNKHHLSWGIWEX-UHFFFAOYSA-N
MW185.68 g/mol
LogP0.41
Rot. Bonds4

About N-(3-chloro-2-methylpropyl)methanesulfonamide

N-(3-chloro-2-methylpropyl)methanesulfonamide (PubChem CID 65036670) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)methanesulfonamide
PubChem CID65036670
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-(3-chloro-2-methylpropyl)methanesulfonamide
SMILESCC(CCl)CNS(C)(=O)=O
InChIInChI=1S/C5H12ClNO2S/c1-5(3-6)4-7-10(2,8)9/h5,7H,3-4H2,1-2H3
InChIKeyIYNKHHLSWGIWEX-UHFFFAOYSA-N
XLogP0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane
CID 65036782
N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
CID 65036846
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
N-(2-bromopropyl)methanesulfonamide
CID 114295652
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659
N-(3-chloro-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 65036723
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
2,5-dibromo-N-(3-chloro-2-methylpropyl)-4-methylbenzenesulfonamide
CID 81327843
N-(2-methylbutyl)sulfamoyl chloride
CID 114958197
methyl N-[4-(methanesulfonamido)-2-methylbutyl]sulfamate
CID 147917402
3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83146748
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)methanesulfonamide (CID 65036670) is N-(3-chloro-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)methanesulfonamide is CC(CCl)CNS(C)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylpropyl)methanesulfonamide?
The InChIKey is IYNKHHLSWGIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-5(3-6)4-7-10(2,8)9/h5,7H,3-4H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylpropyl)methanesulfonamide?
N-(3-chloro-2-methylpropyl)methanesulfonamide has a molecular weight of 185.68 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 65036670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).