N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide

C13H24BrNO2S — CID 105361776

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1CBr)C1CCCC1
InChIInChI=1S/C13H24BrNO2S/c14-9-11-5-1-2-6-12(11)10-15-18(16,17)13-7-3-4-8-13/h11-13,15H,1-10H2
InChIKeyLWSAYHHQJMXQCR-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.05
Rot. Bonds5

About N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide

N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide (PubChem CID 105361776) has the molecular formula C13H24BrNO2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide
PubChem CID105361776
Molecular FormulaC13H24BrNO2S
Molecular Weight338.31 g/mol
Exact Mass337.07
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1CBr)C1CCCC1
InChIInChI=1S/C13H24BrNO2S/c14-9-11-5-1-2-6-12(11)10-15-18(16,17)13-7-3-4-8-13/h11-13,15H,1-10H2
InChIKeyLWSAYHHQJMXQCR-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide (CID 105361776) is N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide is O=S(=O)(NCC1CCCCC1CBr)C1CCCC1.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide?
The InChIKey is LWSAYHHQJMXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2S/c14-9-11-5-1-2-6-12(11)10-15-18(16,17)13-7-3-4-8-13/h11-13,15H,1-10H2.
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).