N-[1-(bromomethyl)cyclohexyl]methanesulfonamide

C8H16BrNO2S — CID 114293723

IUPACN-[1-(bromomethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-8(7-9)5-3-2-4-6-8/h10H,2-7H2,1H3
InChIKeyNAVNPUXVUMGLNK-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.63
Rot. Bonds3

About N-[1-(bromomethyl)cyclohexyl]methanesulfonamide

N-[1-(bromomethyl)cyclohexyl]methanesulfonamide (PubChem CID 114293723) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]methanesulfonamide
PubChem CID114293723
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC NameN-[1-(bromomethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-8(7-9)5-3-2-4-6-8/h10H,2-7H2,1H3
InChIKeyNAVNPUXVUMGLNK-UHFFFAOYSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.63
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)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 114293739
N-[1-(bromomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 114293993
3-(bromomethyl)-N-tert-butylcyclohexane-1-sulfonamide
CID 145777941
N-(1-methylcyclohexyl)methanesulfonamide
CID 61224093
1-cyclohexyl-N-(1,3-dibromo-2-methylpropan-2-yl)methanesulfonamide
CID 81967058
N-[1-(bromomethyl)cyclohexyl]-1-methylsulfonylmethanesulfonamide
CID 82843392
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-methylsulfonylmethanesulfonamide
CID 82843497
1-bromo-N-(1-methylcyclohexyl)methanesulfonamide
CID 83086993
N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521778
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765
N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide
CID 106169823
N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 106169825

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]methanesulfonamide (CID 114293723) is N-[1-(bromomethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]methanesulfonamide?
The InChIKey is NAVNPUXVUMGLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-13(11,12)10-8(7-9)5-3-2-4-6-8/h10H,2-7H2,1H3.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]methanesulfonamide?
N-[1-(bromomethyl)cyclohexyl]methanesulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 114293723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).