N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide

C12H24BrNO2S — CID 106367668

IUPACN-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C12H24BrNO2S/c1-12(2,3)9-17(15,16)14-11-7-5-4-6-10(11)8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyDFAPFBBZTIZBTM-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide

N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 106367668) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide
PubChem CID106367668
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C12H24BrNO2S/c1-12(2,3)9-17(15,16)14-11-7-5-4-6-10(11)8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyDFAPFBBZTIZBTM-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.91
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-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[2-(bromomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106367694
N-(2-methylcyclohexyl)ethanesulfonamide
CID 19681988
N-(4-methylcyclohexyl)ethanesulfonamide
CID 22772360
N-(4-methylcyclohexyl)propane-1-sulfonamide
CID 60648802
N-(3-methylcyclohexyl)butane-1-sulfonamide
CID 117806030
2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide
CID 142669437
N-(2-methylcyclohexyl)butane-1-sulfonamide
CID 6467247
N-[(1R,2R)-2-methylcyclohexyl]butane-1-sulfonamide
CID 8059998
N-[(1S,2R)-2-methylcyclohexyl]butane-1-sulfonamide
CID 8059999
N-[(1R,2S)-2-methylcyclohexyl]butane-1-sulfonamide
CID 8060000
N-[(1S,2S)-2-methylcyclohexyl]butane-1-sulfonamide
CID 8060001

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide (CID 106367668) is N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is DFAPFBBZTIZBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-12(2,3)9-17(15,16)14-11-7-5-4-6-10(11)8-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide?
N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 326.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 106367668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).