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

C10H18N2OS — CID 79207622

IUPAC4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide
SMILESCSCCCNC(=O)C1C=CC(N)C1
InChIInChI=1S/C10H18N2OS/c1-14-6-2-5-12-10(13)8-3-4-9(11)7-8/h3-4,8-9H,2,5-7,11H2,1H3,(H,12,13)
InChIKeyFLNCLXFWVXGYQI-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.76
Rot. Bonds5

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

4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207622) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207622
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide
SMILESCSCCCNC(=O)C1C=CC(N)C1
InChIInChI=1S/C10H18N2OS/c1-14-6-2-5-12-10(13)8-3-4-9(11)7-8/h3-4,8-9H,2,5-7,11H2,1H3,(H,12,13)
InChIKeyFLNCLXFWVXGYQI-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pentylcyclopent-2-ene-1-carboxamide
CID 79211552
4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
CID 79207691
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide
CID 114137040
4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide
CID 113412805
2-(3-methylsulfanylpropylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974758
4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
CID 112658919
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
CID 106176733
4-amino-N-(2-hydroxy-3-methoxypropyl)cyclopent-2-ene-1-carboxamide
CID 79207720
4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210356
trans-(1R,2R)-2-(4-methylsulfanylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 99716413

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide (CID 79207622) is 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide is CSCCCNC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FLNCLXFWVXGYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-14-6-2-5-12-10(13)8-3-4-9(11)7-8/h3-4,8-9H,2,5-7,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).