N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide

C9H18BrNO2S — CID 114293897

IUPACN-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide
SMILESCC1CCCC(CBr)(NS(C)(=O)=O)C1
InChIInChI=1S/C9H18BrNO2S/c1-8-4-3-5-9(6-8,7-10)11-14(2,12)13/h8,11H,3-7H2,1-2H3
InChIKeyHEXBGWSIOCLANQ-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.88
Rot. Bonds3

About N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide

N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide (PubChem CID 114293897) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide
PubChem CID114293897
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide
SMILESCC1CCCC(CBr)(NS(C)(=O)=O)C1
InChIInChI=1S/C9H18BrNO2S/c1-8-4-3-5-9(6-8,7-10)11-14(2,12)13/h8,11H,3-7H2,1-2H3
InChIKeyHEXBGWSIOCLANQ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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)-3-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058115
N-[1-(bromomethyl)-3-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 114293913
N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylsulfonylmethanesulfonamide
CID 82843496
1-bromo-N-(3,5-dimethylcyclohexyl)methanesulfonamide
CID 83086185
1-bromo-N-(1-methylcyclohexyl)methanesulfonamide
CID 83086993
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521780
N-[1-(bromomethyl)-3-methylcyclohexyl]cyclohexanesulfonamide
CID 113271060
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,2-dimethylpropane-1-sulfonamide
CID 113271061
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methylsulfonylethanesulfonamide
CID 113271073
N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopentanesulfonamide
CID 113707615
N-[1-(bromomethyl)cyclohexyl]methanesulfonamide
CID 114293723
N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide
CID 114293729

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide (CID 114293897) is N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide is CC1CCCC(CBr)(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide?
The InChIKey is HEXBGWSIOCLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-8-4-3-5-9(6-8,7-10)11-14(2,12)13/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide?
N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-3-methylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 114293897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).