1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide

C9H18BrNO2S — CID 83086285

IUPAC1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)CBr)CC1
InChIInChI=1S/C9H18BrNO2S/c1-9(2)5-3-8(4-6-9)11-14(12,13)7-10/h8,11H,3-7H2,1-2H3
InChIKeyOFMXWYMCGZKFCQ-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.23
Rot. Bonds3

About 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide

1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide (PubChem CID 83086285) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide
PubChem CID83086285
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC Name1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)CBr)CC1
InChIInChI=1S/C9H18BrNO2S/c1-9(2)5-3-8(4-6-9)11-14(12,13)7-10/h8,11H,3-7H2,1-2H3
InChIKeyOFMXWYMCGZKFCQ-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.23
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-(4,4-dimethylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide (CID 83086285) is 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide is CC1(C)CCC(NS(=O)(=O)CBr)CC1.
What is the InChIKey of 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide?
The InChIKey is OFMXWYMCGZKFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-9(2)5-3-8(4-6-9)11-14(12,13)7-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide?
1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(4,4-dimethylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 83086285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).