2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H20N2OS — CID 2943319

IUPAC2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1SC1CCCCC1O)CCCC2
InChIInChI=1S/C16H20N2OS/c17-10-12-9-11-5-1-2-6-13(11)18-16(12)20-15-8-4-3-7-14(15)19/h9,14-15,19H,1-8H2
InChIKeyKPDVTMAEJRCBGV-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 2943319) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID2943319
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1SC1CCCCC1O)CCCC2
InChIInChI=1S/C16H20N2OS/c17-10-12-9-11-5-1-2-6-13(11)18-16(12)20-15-8-4-3-7-14(15)19/h9,14-15,19H,1-8H2
InChIKeyKPDVTMAEJRCBGV-UHFFFAOYSA-N
XLogP3.23
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 2943319) is 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1SC1CCCCC1O)CCCC2.
What is the InChIKey of 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is KPDVTMAEJRCBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-10-12-9-11-5-1-2-6-13(11)18-16(12)20-15-8-4-3-7-14(15)19/h9,14-15,19H,1-8H2.
What are the key properties of 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 288.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 2943319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).