4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide

C13H22N2OS — CID 114122950

IUPAC4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide
SMILESCSC1CCCCC1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H22N2OS/c1-17-12-5-3-2-4-11(12)15-13(16)9-6-7-10(14)8-9/h6-7,9-12H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyUENVESUBYNTEFG-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.68
Rot. Bonds3

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

4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide (PubChem CID 114122950) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide
PubChem CID114122950
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide
SMILESCSC1CCCCC1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H22N2OS/c1-17-12-5-3-2-4-11(12)15-13(16)9-6-7-10(14)8-9/h6-7,9-12H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyUENVESUBYNTEFG-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79207326
4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79210608
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
CID 81390649
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253
4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
CID 114123155
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762408
2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
CID 103843972
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207695
N-(2-methylsulfanylcyclobutyl)cyclobutanecarboxamide
CID 126989310
(E)-N-(2-methylsulfanylcyclohexyl)but-2-enamide
CID 103683381
2-methyl-N-(2-methylsulfanylcyclopentyl)piperidine-4-carboxamide
CID 106832174

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide (CID 114122950) is 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide is CSC1CCCCC1NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is UENVESUBYNTEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-17-12-5-3-2-4-11(12)15-13(16)9-6-7-10(14)8-9/h6-7,9-12H,2-5,8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 114122950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).