N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide

C14H19NOS — CID 2225436

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)cs1
InChIInChI=1S/C14H19NOS/c1-11-9-13(10-17-11)14(16)15-8-7-12-5-3-2-4-6-12/h5,9-10H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyZLRSPQMBVYZZIJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide (PubChem CID 2225436) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide
PubChem CID2225436
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)cs1
InChIInChI=1S/C14H19NOS/c1-11-9-13(10-17-11)14(16)15-8-7-12-5-3-2-4-6-12/h5,9-10H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyZLRSPQMBVYZZIJ-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide (CID 2225436) is N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)NCCC2=CCCCC2)cs1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide?
The InChIKey is ZLRSPQMBVYZZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11-9-13(10-17-11)14(16)15-8-7-12-5-3-2-4-6-12/h5,9-10H,2-4,6-8H2,1H3,(H,15,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide has a molecular weight of 249.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 2225436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).