N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide

C11H22BrNO2S — CID 103969941

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C11H22BrNO2S/c1-2-8-16(14,15)13-10-11(9-12)6-4-3-5-7-11/h13H,2-10H2,1H3
InChIKeyXZFBZTPPMQKSTE-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.66
Rot. Bonds6

About N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide

N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide (PubChem CID 103969941) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide
PubChem CID103969941
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C11H22BrNO2S/c1-2-8-16(14,15)13-10-11(9-12)6-4-3-5-7-11/h13H,2-10H2,1H3
InChIKeyXZFBZTPPMQKSTE-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide (CID 103969941) is N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide?
The InChIKey is XZFBZTPPMQKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-2-8-16(14,15)13-10-11(9-12)6-4-3-5-7-11/h13H,2-10H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 103969941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).