N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide

C14H23NOS — CID 71979775

IUPACN-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide
SMILESCCSC1CCCC1NC(=O)C1CC=CCC1
InChIInChI=1S/C14H23NOS/c1-2-17-13-10-6-9-12(13)15-14(16)11-7-4-3-5-8-11/h3-4,11-13H,2,5-10H2,1H3,(H,15,16)
InChIKeyWWBZMKIDAGISGM-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.13
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide

N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71979775) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide
PubChem CID71979775
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide
SMILESCCSC1CCCC1NC(=O)C1CC=CCC1
InChIInChI=1S/C14H23NOS/c1-2-17-13-10-6-9-12(13)15-14(16)11-7-4-3-5-8-11/h3-4,11-13H,2,5-10H2,1H3,(H,15,16)
InChIKeyWWBZMKIDAGISGM-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide (CID 71979775) is N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide is CCSC1CCCC1NC(=O)C1CC=CCC1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is WWBZMKIDAGISGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-17-13-10-6-9-12(13)15-14(16)11-7-4-3-5-8-11/h3-4,11-13H,2,5-10H2,1H3,(H,15,16).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide?
N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 253.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71979775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).