4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide

C10H18N2OS — CID 112658919

IUPAC4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
SMILESCSCCN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C10H18N2OS/c1-12(5-6-14-2)10(13)8-3-4-9(11)7-8/h3-4,8-9H,5-7,11H2,1-2H3
InChIKeyQTIHPTJZXHUAMM-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.71
Rot. Bonds4

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

4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 112658919) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
PubChem CID112658919
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
SMILESCSCCN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C10H18N2OS/c1-12(5-6-14-2)10(13)8-3-4-9(11)7-8/h3-4,8-9H,5-7,11H2,1-2H3
InChIKeyQTIHPTJZXHUAMM-UHFFFAOYSA-N
XLogP0.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide (CID 112658919) is 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide is CSCCN(C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is QTIHPTJZXHUAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-12(5-6-14-2)10(13)8-3-4-9(11)7-8/h3-4,8-9H,5-7,11H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 112658919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).