2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine

C13H18BrNO2S — CID 79581656

IUPAC2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2S/c14-11-4-2-5-12(9-11)18(16,17)8-7-10-3-1-6-13(10)15/h2,4-5,9-10,13H,1,3,6-8,15H2
InChIKeyQILQBPDNPPAYMV-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.74
Rot. Bonds4

About 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine

2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine (PubChem CID 79581656) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine
PubChem CID79581656
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2S/c14-11-4-2-5-12(9-11)18(16,17)8-7-10-3-1-6-13(10)15/h2,4-5,9-10,13H,1,3,6-8,15H2
InChIKeyQILQBPDNPPAYMV-UHFFFAOYSA-N
XLogP2.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine 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

2-[2-(3-bromophenyl)sulfonylethyl]-1,3-dioxane
CID 66473772
4-[2-(3-bromophenyl)sulfonylethyl]piperidine
CID 57195394
2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581118
1-bromo-3-(cyclohexylmethylsulfonyl)benzene
CID 67130389
2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581498
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]benzenesulfonamide
CID 114295394
1-bromo-3-(3-fluoropropylsulfonyl)benzene
CID 84715101
N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide
CID 138020430
1-bromo-3-(2-phenylethylsulfonyl)benzene
CID 67134245
2-[3-(3-bromophenyl)sulfonylpropoxy]oxane
CID 68669301
2-[(3-bromophenyl)sulfonylmethyl]azetidine
CID 115071054
(2R)-1-[2-(3-bromophenyl)sulfonylethyl]pyrrolidine-2-carboxylic acid
CID 119914163

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine (CID 79581656) is 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine is NC1CCCC1CCS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine?
The InChIKey is QILQBPDNPPAYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c14-11-4-2-5-12(9-11)18(16,17)8-7-10-3-1-6-13(10)15/h2,4-5,9-10,13H,1,3,6-8,15H2.
What are the key properties of 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine?
2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine has a molecular weight of 332.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine is sourced from PubChem (CID 79581656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).