N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide

C11H22BrNO2S — CID 106367720

IUPACN-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C11H22BrNO2S/c1-11(2,3)16(14,15)13-10-7-5-4-6-9(10)8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyKENOHFGNEMEDAD-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.66
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide

N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 106367720) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID106367720
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C11H22BrNO2S/c1-11(2,3)16(14,15)13-10-7-5-4-6-9(10)8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyKENOHFGNEMEDAD-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.66
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-[2-(bromomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106367694
N-(2-methylcyclohexyl)ethanesulfonamide
CID 19681988
2-methyl-N-(4-methylcyclohexyl)propane-2-sulfonamide
CID 59582578
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
2-Amino-N-(2-methylcyclohexyl)ethanesulfonamide
CID 16786589
2-ethyl-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 60307974
N-(2-ethylcyclohexyl)-2-methylpentane-1-sulfonamide
CID 60308003

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide (CID 106367720) is N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is KENOHFGNEMEDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-11(2,3)16(14,15)13-10-7-5-4-6-9(10)8-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[2-(bromomethyl)cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.66, 3 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-methylpropane-2-sulfonamide is sourced from PubChem (CID 106367720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).