N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide

C13H19NOS — CID 4072672

IUPACN-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CCCC(NC(=O)c2cccs2)C1C
InChIInChI=1S/C13H19NOS/c1-9-5-3-6-11(10(9)2)14-13(15)12-7-4-8-16-12/h4,7-11H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyVUCRNQVFAQHUML-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.30
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide

N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide (PubChem CID 4072672) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
PubChem CID4072672
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CCCC(NC(=O)c2cccs2)C1C
InChIInChI=1S/C13H19NOS/c1-9-5-3-6-11(10(9)2)14-13(15)12-7-4-8-16-12/h4,7-11H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyVUCRNQVFAQHUML-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide (CID 4072672) is N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide is CC1CCCC(NC(=O)c2cccs2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is VUCRNQVFAQHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-5-3-6-11(10(9)2)14-13(15)12-7-4-8-16-12/h4,7-11H,3,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide?
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 4072672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).