4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid

C13H19NO2S — CID 139402411

IUPAC4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid
SMILESCNc1sc(C)c(C2CCCCC2)c1C(=O)O
InChIInChI=1S/C13H19NO2S/c1-8-10(9-6-4-3-5-7-9)11(13(15)16)12(14-2)17-8/h9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyNETFONOUVNLHMW-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.84
Rot. Bonds3

About 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid

4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid (PubChem CID 139402411) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid
PubChem CID139402411
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid
SMILESCNc1sc(C)c(C2CCCCC2)c1C(=O)O
InChIInChI=1S/C13H19NO2S/c1-8-10(9-6-4-3-5-7-9)11(13(15)16)12(14-2)17-8/h9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyNETFONOUVNLHMW-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid (CID 139402411) is 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid is CNc1sc(C)c(C2CCCCC2)c1C(=O)O.
What is the InChIKey of 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid?
The InChIKey is NETFONOUVNLHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8-10(9-6-4-3-5-7-9)11(13(15)16)12(14-2)17-8/h9,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid?
4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methyl-2-(methylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 139402411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).