N-[(3-chlorocyclopentyl)methyl]methanesulfonamide

C7H14ClNO2S — CID 106135282

IUPACN-[(3-chlorocyclopentyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C7H14ClNO2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3
InChIKeyUKZRBAFHHMORRY-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.94
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]methanesulfonamide

N-[(3-chlorocyclopentyl)methyl]methanesulfonamide (PubChem CID 106135282) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]methanesulfonamide
PubChem CID106135282
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC NameN-[(3-chlorocyclopentyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C7H14ClNO2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3
InChIKeyUKZRBAFHHMORRY-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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

N-[(3-chlorocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106135175
N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 162624935
N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106121423
N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide
CID 66005889
N-[(3-aminocyclobutyl)methyl]methanesulfonamide
CID 66005835
2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide
CID 106135299
N-[(3-chlorocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 114148320
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide
CID 106136264
N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
CID 106121204

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]methanesulfonamide (CID 106135282) is N-[(3-chlorocyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]methanesulfonamide?
The InChIKey is UKZRBAFHHMORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3.
What are the key properties of N-[(3-chlorocyclopentyl)methyl]methanesulfonamide?
N-[(3-chlorocyclopentyl)methyl]methanesulfonamide has a molecular weight of 211.71 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]methanesulfonamide is sourced from PubChem (CID 106135282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).