3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid

C19H19NO2S — CID 514260

IUPAC3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C19H19NO2S/c21-19(22)13-6-7-15-16(10-13)20-18(14-8-9-23-11-14)17(15)12-4-2-1-3-5-12/h6-12,20H,1-5H2,(H,21,22)
InChIKeyIAUGXSBWHNMBOQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.64
Rot. Bonds3

About 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid

3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid (PubChem CID 514260) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid
PubChem CID514260
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C19H19NO2S/c21-19(22)13-6-7-15-16(10-13)20-18(14-8-9-23-11-14)17(15)12-4-2-1-3-5-12/h6-12,20H,1-5H2,(H,21,22)
InChIKeyIAUGXSBWHNMBOQ-UHFFFAOYSA-N
XLogP5.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid (CID 514260) is 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccsc3)[nH]c2c1.
What is the InChIKey of 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid?
The InChIKey is IAUGXSBWHNMBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c21-19(22)13-6-7-15-16(10-13)20-18(14-8-9-23-11-14)17(15)12-4-2-1-3-5-12/h6-12,20H,1-5H2,(H,21,22).
What are the key properties of 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid?
3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid has a molecular weight of 325.43 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-thiophen-3-yl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 514260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).