1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide

C8H16BrNO3S — CID 83084402

IUPAC1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(CBr)N(CCO)C1CCCC1
InChIInChI=1S/C8H16BrNO3S/c9-7-14(12,13)10(5-6-11)8-3-1-2-4-8/h8,11H,1-7H2
InChIKeyLXIHQSPOXUSOJT-UHFFFAOYSA-N
MW286.19 g/mol
LogP0.91
Rot. Bonds5

About 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide

1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 83084402) has the molecular formula C8H16BrNO3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID83084402
Molecular FormulaC8H16BrNO3S
Molecular Weight286.19 g/mol
Exact Mass285.00
IUPAC Name1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(CBr)N(CCO)C1CCCC1
InChIInChI=1S/C8H16BrNO3S/c9-7-14(12,13)10(5-6-11)8-3-1-2-4-8/h8,11H,1-7H2
InChIKeyLXIHQSPOXUSOJT-UHFFFAOYSA-N
XLogP0.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)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 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide (CID 83084402) is 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide is O=S(=O)(CBr)N(CCO)C1CCCC1.
What is the InChIKey of 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is LXIHQSPOXUSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO3S/c9-7-14(12,13)10(5-6-11)8-3-1-2-4-8/h8,11H,1-7H2.
What are the key properties of 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 286.19 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 83084402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).