N-[1-(chloromethyl)cyclopentyl]methanesulfonamide

C7H14ClNO2S — CID 65030930

IUPACN-[1-(chloromethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CCl)CCCC1
InChIInChI=1S/C7H14ClNO2S/c1-12(10,11)9-7(6-8)4-2-3-5-7/h9H,2-6H2,1H3
InChIKeyHIHQCTIOAMNUFM-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.09
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]methanesulfonamide

N-[1-(chloromethyl)cyclopentyl]methanesulfonamide (PubChem CID 65030930) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]methanesulfonamide
PubChem CID65030930
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC NameN-[1-(chloromethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CCl)CCCC1
InChIInChI=1S/C7H14ClNO2S/c1-12(10,11)9-7(6-8)4-2-3-5-7/h9H,2-6H2,1H3
InChIKeyHIHQCTIOAMNUFM-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(chloromethyl)cyclopentyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]methanesulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]methanesulfonamide (CID 65030930) is N-[1-(chloromethyl)cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]methanesulfonamide is CS(=O)(=O)NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]methanesulfonamide?
The InChIKey is HIHQCTIOAMNUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-12(10,11)9-7(6-8)4-2-3-5-7/h9H,2-6H2,1H3.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]methanesulfonamide?
N-[1-(chloromethyl)cyclopentyl]methanesulfonamide has a molecular weight of 211.71 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]methanesulfonamide is sourced from PubChem (CID 65030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).