1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide

C9H18BrNO2S — CID 83086185

IUPAC1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)CBr)C1
InChIInChI=1S/C9H18BrNO2S/c1-7-3-8(2)5-9(4-7)11-14(12,13)6-10/h7-9,11H,3-6H2,1-2H3
InChIKeyVCYBNRQPUKZACL-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.08
Rot. Bonds3

About 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide

1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide (PubChem CID 83086185) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide
PubChem CID83086185
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC Name1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)CBr)C1
InChIInChI=1S/C9H18BrNO2S/c1-7-3-8(2)5-9(4-7)11-14(12,13)6-10/h7-9,11H,3-6H2,1-2H3
InChIKeyVCYBNRQPUKZACL-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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

1-bromo-N-[3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 83093754
N-(3,3,5-trimethylcyclohexyl)methanesulfonamide
CID 19682032
N-(4-methylcyclohexyl)methanesulfonamide
CID 22772359
N-(3-methylcyclohexyl)methanesulfonamide
CID 58779653
N-(3,3-dimethylcyclohexyl)methanesulfonamide
CID 58806263
N-[(1R,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide
CID 58841004
N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide
CID 58841024
N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide
CID 58909071
N-[(2R)-1-cyclohexylpropan-2-yl]methanesulfonamide
CID 58923324
N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide
CID 59460867
N-(3-ethylcyclohexyl)methanesulfonamide
CID 64749196
1,1,1-tribromo-N-(5-methyl-2-propan-2-ylcyclohexyl)methanesulfonamide
CID 71213184

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide (CID 83086185) is 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide is CC1CC(C)CC(NS(=O)(=O)CBr)C1.
What is the InChIKey of 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide?
The InChIKey is VCYBNRQPUKZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-7-3-8(2)5-9(4-7)11-14(12,13)6-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide?
1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 83086185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).