2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine

C15H22BrNO2S — CID 79581114

IUPAC2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2S/c1-2-17-15-5-3-4-12(15)10-11-20(18,19)14-8-6-13(16)7-9-14/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyNXKXPTSIBNJJFY-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.39
Rot. Bonds6

About 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine

2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine (PubChem CID 79581114) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
PubChem CID79581114
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2S/c1-2-17-15-5-3-4-12(15)10-11-20(18,19)14-8-6-13(16)7-9-14/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyNXKXPTSIBNJJFY-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine (CID 79581114) is 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1CCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine?
The InChIKey is NXKXPTSIBNJJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-2-17-15-5-3-4-12(15)10-11-20(18,19)14-8-6-13(16)7-9-14/h6-9,12,15,17H,2-5,10-11H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine?
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine has a molecular weight of 360.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79581114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).