2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide

C13H20N2OS — CID 43805517

IUPAC2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(C2CCCCC2)csc1N
InChIInChI=1S/C13H20N2OS/c1-15(2)13(16)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h8-9H,3-7,14H2,1-2H3
InChIKeyLXJLDJXLYKCJKR-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.08
Rot. Bonds2

About 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide

2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide (PubChem CID 43805517) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide
PubChem CID43805517
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(C2CCCCC2)csc1N
InChIInChI=1S/C13H20N2OS/c1-15(2)13(16)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h8-9H,3-7,14H2,1-2H3
InChIKeyLXJLDJXLYKCJKR-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide (CID 43805517) is 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide is CN(C)C(=O)c1c(C2CCCCC2)csc1N.
What is the InChIKey of 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide?
The InChIKey is LXJLDJXLYKCJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(2)13(16)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide?
2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 43805517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).