4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide

C13H22N2OS — CID 114123155

IUPAC4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
SMILESCCSC1CCC(NC(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C13H22N2OS/c1-2-17-12-6-5-11(8-12)15-13(16)9-3-4-10(14)7-9/h3-4,9-12H,2,5-8,14H2,1H3,(H,15,16)
InChIKeyLGBDKUREWYAZPD-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.68
Rot. Bonds4

About 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide (PubChem CID 114123155) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
PubChem CID114123155
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
SMILESCCSC1CCC(NC(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C13H22N2OS/c1-2-17-12-6-5-11(8-12)15-13(16)9-3-4-10(14)7-9/h3-4,9-12H,2,5-8,14H2,1H3,(H,15,16)
InChIKeyLGBDKUREWYAZPD-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 113267227
(1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201300
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79210608
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207695
4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79209151
4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide
CID 83029363
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 103715144
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170
4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79211011

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide (CID 114123155) is 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide is CCSC1CCC(NC(=O)C2C=CC(N)C2)C1.
What is the InChIKey of 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is LGBDKUREWYAZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-17-12-6-5-11(8-12)15-13(16)9-3-4-10(14)7-9/h3-4,9-12H,2,5-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 114123155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).