N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide

C9H18BrNO2S — CID 80668486

IUPACN-(2-bromoethyl)-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C9H18BrNO2S/c1-14(12,13)11(8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyGPANLVKQIQPWLE-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.98
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide

N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide (PubChem CID 80668486) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexylmethanesulfonamide
PubChem CID80668486
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-(2-bromoethyl)-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C9H18BrNO2S/c1-14(12,13)11(8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyGPANLVKQIQPWLE-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-ethylmethanesulfonamide
CID 799015
N-cyclohexyl-N-methylmethanesulfonamide
CID 706834
N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 80669304
N,N-dicyclohexylmethanesulfonamide
CID 3475883
N-cyclohexyl-N-propan-2-ylmethanesulfonamide
CID 69703232
Cyclohexyl-diethyl-methylazanium;methanesulfonate
CID 85827796
N,N-dicyclohexylmethanesulfonamide;molecular hydrogen
CID 162057557
2-(2-Bromoethyl)-1-methylsulfonylpiperidine
CID 79022476
N-(2-bromoethyl)-N-butylcyclohexanesulfonamide
CID 80668600
N-(2-bromoethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
CID 80668642
N-(2-bromoethyl)-N-cyclohexylethanesulfonamide
CID 80668760
N-(2-bromoethyl)-N-cyclohexylbutane-1-sulfonamide
CID 80668971

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide (CID 80668486) is N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide is CS(=O)(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide?
The InChIKey is GPANLVKQIQPWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-14(12,13)11(8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide?
N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide is sourced from PubChem (CID 80668486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).