4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide

C14H20N2OS — CID 79210647

IUPAC4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2C=CC(N)C2)s1
InChIInChI=1S/C14H20N2OS/c1-9-4-7-13(18-9)10(2)16(3)14(17)11-5-6-12(15)8-11/h4-7,10-12H,8,15H2,1-3H3
InChIKeyVNVZUDAUGOPINW-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.48
Rot. Bonds3

About 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide

4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210647) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210647
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2C=CC(N)C2)s1
InChIInChI=1S/C14H20N2OS/c1-9-4-7-13(18-9)10(2)16(3)14(17)11-5-6-12(15)8-11/h4-7,10-12H,8,15H2,1-3H3
InChIKeyVNVZUDAUGOPINW-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.48
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-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide (CID 79210647) is 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide is Cc1ccc(C(C)N(C)C(=O)C2C=CC(N)C2)s1.
What is the InChIKey of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is VNVZUDAUGOPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-4-7-13(18-9)10(2)16(3)14(17)11-5-6-12(15)8-11/h4-7,10-12H,8,15H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.48, 3 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-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).