2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine

C13H17Cl2NOS — CID 64657347

IUPAC2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-2-16-11-4-3-5-12(11)18(17)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3
InChIKeyXFOLXFNAAARGTP-UHFFFAOYSA-N
MW306.26 g/mol
LogP3.63
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine

2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine (PubChem CID 64657347) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
PubChem CID64657347
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC Name2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-2-16-11-4-3-5-12(11)18(17)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3
InChIKeyXFOLXFNAAARGTP-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine (CID 64657347) is 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine is CCNC1CCCC1S(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The InChIKey is XFOLXFNAAARGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c1-2-16-11-4-3-5-12(11)18(17)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine has a molecular weight of 306.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64657347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).