N-[1-(bromomethyl)cyclopentyl]methanesulfonamide

C7H14BrNO2S — CID 114297072

IUPACN-[1-(bromomethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CBr)CCCC1
InChIInChI=1S/C7H14BrNO2S/c1-12(10,11)9-7(6-8)4-2-3-5-7/h9H,2-6H2,1H3
InChIKeyZGXURDGVZOPLMI-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.24
Rot. Bonds3

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

N-[1-(bromomethyl)cyclopentyl]methanesulfonamide (PubChem CID 114297072) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]methanesulfonamide
PubChem CID114297072
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-[1-(bromomethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CBr)CCCC1
InChIInChI=1S/C7H14BrNO2S/c1-12(10,11)9-7(6-8)4-2-3-5-7/h9H,2-6H2,1H3
InChIKeyZGXURDGVZOPLMI-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.24
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-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 114297097
N-(1-methylcyclopentyl)methanesulfonamide
CID 61688020
N-[1-(bromomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide
CID 82842892
1-bromo-N-(1-methylcyclopentyl)methanesulfonamide
CID 83085957
N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-[2-(bromomethyl)cyclopentyl]methanesulfonamide
CID 106367485
N-[1-(bromomethyl)cyclohexyl]methanesulfonamide
CID 114293723
N-[1-(bromomethyl)cyclopentyl]-2,2-dimethylpropane-1-sulfonamide
CID 114297081
N-[1-(bromomethyl)cyclopentyl]propane-1-sulfonamide
CID 114297085
N-[1-(bromomethyl)cyclopentyl]-2-methylpropane-2-sulfonamide
CID 114297141
N-[1-(bromomethyl)cyclopentyl]butane-1-sulfonamide
CID 114297145
N-[1-(bromomethyl)cyclopentyl]propane-2-sulfonamide
CID 114297148

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]methanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]methanesulfonamide (CID 114297072) is N-[1-(bromomethyl)cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]methanesulfonamide is CS(=O)(=O)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]methanesulfonamide?
The InChIKey is ZGXURDGVZOPLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/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-(bromomethyl)cyclopentyl]methanesulfonamide?
N-[1-(bromomethyl)cyclopentyl]methanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]methanesulfonamide is sourced from PubChem (CID 114297072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).