(1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H23NOS — CID 98201300

IUPAC(1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCS[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1
InChIInChI=1S/C15H23NOS/c1-2-18-13-6-5-12(9-13)16-15(17)14-8-10-3-4-11(14)7-10/h3-4,10-14H,2,5-9H2,1H3,(H,16,17)/t10-,11-,12+,13+,14+/m0/s1
InChIKeyIDKJJYAJCQBDCA-ODXJTPSBSA-N
MW265.42 g/mol
LogP2.99
Rot. Bonds4

About (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 98201300) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID98201300
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCS[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1
InChIInChI=1S/C15H23NOS/c1-2-18-13-6-5-12(9-13)16-15(17)14-8-10-3-4-11(14)7-10/h3-4,10-14H,2,5-9H2,1H3,(H,16,17)/t10-,11-,12+,13+,14+/m0/s1
InChIKeyIDKJJYAJCQBDCA-ODXJTPSBSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-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 (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 98201300) is (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is CCS[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1.
What is the InChIKey of (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is IDKJJYAJCQBDCA-ODXJTPSBSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-18-13-6-5-12(9-13)16-15(17)14-8-10-3-4-11(14)7-10/h3-4,10-14H,2,5-9H2,1H3,(H,16,17)/t10-,11-,12+,13+,14+/m0/s1.
What are the key properties of (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 265.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 98201300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).