cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide

C17H25ClN2O2S — CID 56905135

IUPACcis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
SMILESCOCCN(CCSc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C17H25ClN2O2S/c1-22-10-8-20(17(21)13-2-5-15(19)12-13)9-11-23-16-6-3-14(18)4-7-16/h3-4,6-7,13,15H,2,5,8-12,19H2,1H3/t13-,15+/m0/s1
InChIKeyFJXNUBWDYXENMQ-DZGCQCFKSA-N
MW356.92 g/mol
LogP3.03
Rot. Bonds8

About cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide (PubChem CID 56905135) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
PubChem CID56905135
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC Namecis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
SMILESCOCCN(CCSc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C17H25ClN2O2S/c1-22-10-8-20(17(21)13-2-5-15(19)12-13)9-11-23-16-6-3-14(18)4-7-16/h3-4,6-7,13,15H,2,5,8-12,19H2,1H3/t13-,15+/m0/s1
InChIKeyFJXNUBWDYXENMQ-DZGCQCFKSA-N
XLogP3.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide 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 cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide (CID 56905135) is cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide is COCCN(CCSc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide?
The InChIKey is FJXNUBWDYXENMQ-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H25ClN2O2S/c1-22-10-8-20(17(21)13-2-5-15(19)12-13)9-11-23-16-6-3-14(18)4-7-16/h3-4,6-7,13,15H,2,5,8-12,19H2,1H3/t13-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide has a molecular weight of 356.92 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 56905135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).