3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide

C13H20N2OS — CID 63996432

IUPAC3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2sccc2N)C(C)C1
InChIInChI=1S/C13H20N2OS/c1-8-3-4-11(9(2)7-8)15-13(16)12-10(14)5-6-17-12/h5-6,8-9,11H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyGCMMAAUGUIFPCG-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.88
Rot. Bonds2

About 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide

3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide (PubChem CID 63996432) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
PubChem CID63996432
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2sccc2N)C(C)C1
InChIInChI=1S/C13H20N2OS/c1-8-3-4-11(9(2)7-8)15-13(16)12-10(14)5-6-17-12/h5-6,8-9,11H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyGCMMAAUGUIFPCG-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide (CID 63996432) is 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide is CC1CCC(NC(=O)c2sccc2N)C(C)C1.
What is the InChIKey of 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is GCMMAAUGUIFPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-3-4-11(9(2)7-8)15-13(16)12-10(14)5-6-17-12/h5-6,8-9,11H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide?
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 63996432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).