1-bromo-N-(3-methylcyclohexyl)methanesulfonamide

C8H16BrNO2S — CID 83084230

IUPAC1-bromo-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(NS(=O)(=O)CBr)C1
InChIInChI=1S/C8H16BrNO2S/c1-7-3-2-4-8(5-7)10-13(11,12)6-9/h7-8,10H,2-6H2,1H3
InChIKeySCVHBYOKNFIDDB-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.84
Rot. Bonds3

About 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide

1-bromo-N-(3-methylcyclohexyl)methanesulfonamide (PubChem CID 83084230) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3-methylcyclohexyl)methanesulfonamide
PubChem CID83084230
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name1-bromo-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(NS(=O)(=O)CBr)C1
InChIInChI=1S/C8H16BrNO2S/c1-7-3-2-4-8(5-7)10-13(11,12)6-9/h7-8,10H,2-6H2,1H3
InChIKeySCVHBYOKNFIDDB-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.84
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-(3-methylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide (CID 83084230) is 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide is CC1CCCC(NS(=O)(=O)CBr)C1.
What is the InChIKey of 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide?
The InChIKey is SCVHBYOKNFIDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-7-3-2-4-8(5-7)10-13(11,12)6-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide?
1-bromo-N-(3-methylcyclohexyl)methanesulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 83084230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).