N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide

C13H24BrNO2S — CID 105361767

IUPACN-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide
SMILESCC1CCC(CBr)(NS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C13H24BrNO2S/c1-11-6-8-13(10-14,9-7-11)15-18(16,17)12-4-2-3-5-12/h11-12,15H,2-10H2,1H3
InChIKeyHMZQNSJLUSQPHF-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide

N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide (PubChem CID 105361767) has the molecular formula C13H24BrNO2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide
PubChem CID105361767
Molecular FormulaC13H24BrNO2S
Molecular Weight338.31 g/mol
Exact Mass337.07
IUPAC NameN-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide
SMILESCC1CCC(CBr)(NS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C13H24BrNO2S/c1-11-6-8-13(10-14,9-7-11)15-18(16,17)12-4-2-3-5-12/h11-12,15H,2-10H2,1H3
InChIKeyHMZQNSJLUSQPHF-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.19
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
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)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521778
N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765
N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 106169825
N-[1-bromo-2-(bromomethyl)butan-2-yl]-1-cyclohexylmethanesulfonamide
CID 107868289
N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide
CID 113271016
N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
CID 113271021
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,2-dimethylpropane-1-sulfonamide
CID 113271061
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 113271075

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide (CID 105361767) is N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide is CC1CCC(CBr)(NS(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide?
The InChIKey is HMZQNSJLUSQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2S/c1-11-6-8-13(10-14,9-7-11)15-18(16,17)12-4-2-3-5-12/h11-12,15H,2-10H2,1H3.
What are the key properties of N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide?
N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.19, 4 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]cyclopentanesulfonamide is sourced from PubChem (CID 105361767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).