1-bromo-N-(1-methylcyclopentyl)methanesulfonamide

C7H14BrNO2S — CID 83085957

IUPAC1-bromo-N-(1-methylcyclopentyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CBr)CCCC1
InChIInChI=1S/C7H14BrNO2S/c1-7(4-2-3-5-7)9-12(10,11)6-8/h9H,2-6H2,1H3
InChIKeyRKWCUEOHNKBJQC-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.59
Rot. Bonds3

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

1-bromo-N-(1-methylcyclopentyl)methanesulfonamide (PubChem CID 83085957) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is 1-bromo-N-(1-methylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(1-methylcyclopentyl)methanesulfonamide
PubChem CID83085957
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC Name1-bromo-N-(1-methylcyclopentyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CBr)CCCC1
InChIInChI=1S/C7H14BrNO2S/c1-7(4-2-3-5-7)9-12(10,11)6-8/h9H,2-6H2,1H3
InChIKeyRKWCUEOHNKBJQC-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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-bromo-N-(1-methylcyclopentyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(1-methylcyclopentyl)methanesulfonamide (CID 83085957) is 1-bromo-N-(1-methylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(1-methylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(1-methylcyclopentyl)methanesulfonamide is CC1(NS(=O)(=O)CBr)CCCC1.
What is the InChIKey of 1-bromo-N-(1-methylcyclopentyl)methanesulfonamide?
The InChIKey is RKWCUEOHNKBJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-7(4-2-3-5-7)9-12(10,11)6-8/h9H,2-6H2,1H3.
What are the key properties of 1-bromo-N-(1-methylcyclopentyl)methanesulfonamide?
1-bromo-N-(1-methylcyclopentyl)methanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-methylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 83085957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).