N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide

C12H24BrNO2S — CID 114294015

IUPACN-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC1CCC(CBr)(NS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H24BrNO2S/c1-10-5-7-12(9-13,8-6-10)14-17(15,16)11(2,3)4/h10,14H,5-9H2,1-4H3
InChIKeyKESQGWKKRQZDFM-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.05
Rot. Bonds3

About N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide

N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 114294015) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID114294015
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC1CCC(CBr)(NS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H24BrNO2S/c1-10-5-7-12(9-13,8-6-10)14-17(15,16)11(2,3)4/h10,14H,5-9H2,1-4H3
InChIKeyKESQGWKKRQZDFM-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.05
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

N-[1-(bromomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058253
N-[1-(bromomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 114293993
3-(bromomethyl)-N-tert-butylcyclohexane-1-sulfonamide
CID 145777941
1-cyclohexyl-N-(1,3-dibromo-2-methylpropan-2-yl)methanesulfonamide
CID 81967058
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-methylsulfonylmethanesulfonamide
CID 82843497
N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521778
N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide
CID 105361767
N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 106169825
N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide
CID 106367720
N-[1-bromo-2-(bromomethyl)butan-2-yl]-1-cyclohexylmethanesulfonamide
CID 107868289
N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide
CID 113271016
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,2-dimethylpropane-1-sulfonamide
CID 113271061

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide (CID 114294015) is N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide is CC1CCC(CBr)(NS(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is KESQGWKKRQZDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-10-5-7-12(9-13,8-6-10)14-17(15,16)11(2,3)4/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide?
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 326.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 114294015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).