1-chloro-N-(1-methylcyclopentyl)methanesulfonamide

C7H14ClNO2S — CID 63665818

IUPAC1-chloro-N-(1-methylcyclopentyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CCl)CCCC1
InChIInChI=1S/C7H14ClNO2S/c1-7(4-2-3-5-7)9-12(10,11)6-8/h9H,2-6H2,1H3
InChIKeyINTMKQZUVIUYTR-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.43
Rot. Bonds3

About 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide

1-chloro-N-(1-methylcyclopentyl)methanesulfonamide (PubChem CID 63665818) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(1-methylcyclopentyl)methanesulfonamide
PubChem CID63665818
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name1-chloro-N-(1-methylcyclopentyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CCl)CCCC1
InChIInChI=1S/C7H14ClNO2S/c1-7(4-2-3-5-7)9-12(10,11)6-8/h9H,2-6H2,1H3
InChIKeyINTMKQZUVIUYTR-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide (CID 63665818) is 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide is CC1(NS(=O)(=O)CCl)CCCC1.
What is the InChIKey of 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide?
The InChIKey is INTMKQZUVIUYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-7(4-2-3-5-7)9-12(10,11)6-8/h9H,2-6H2,1H3.
What are the key properties of 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide?
1-chloro-N-(1-methylcyclopentyl)methanesulfonamide has a molecular weight of 211.71 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(1-methylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 63665818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).