N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide

C13H17NOS — CID 131890483

IUPACN-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1ccsc1)C1=CCCCC1
InChIInChI=1S/C13H17NOS/c1-10(11-5-3-2-4-6-11)14-13(15)12-7-8-16-9-12/h5,7-10H,2-4,6H2,1H3,(H,14,15)
InChIKeyDRIOXFLSRVRFNN-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.37
Rot. Bonds3

About N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide

N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide (PubChem CID 131890483) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
PubChem CID131890483
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1ccsc1)C1=CCCCC1
InChIInChI=1S/C13H17NOS/c1-10(11-5-3-2-4-6-11)14-13(15)12-7-8-16-9-12/h5,7-10H,2-4,6H2,1H3,(H,14,15)
InChIKeyDRIOXFLSRVRFNN-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358
cyclohexen-1-yl(thiophen-3-yl)methanone
CID 62079928
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131902997
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 103716265
N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 64992041
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 126439353

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide (CID 131890483) is N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide is CC(NC(=O)c1ccsc1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is DRIOXFLSRVRFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10(11-5-3-2-4-6-11)14-13(15)12-7-8-16-9-12/h5,7-10H,2-4,6H2,1H3,(H,14,15).
What are the key properties of N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide?
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 235.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 131890483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).