2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one

C16H19NOS — CID 13269343

IUPAC2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one
SMILESCC(C)CN1CCc2sc3ccccc3c(=O)c2C1
InChIInChI=1S/C16H19NOS/c1-11(2)9-17-8-7-15-13(10-17)16(18)12-5-3-4-6-14(12)19-15/h3-6,11H,7-10H2,1-2H3
InChIKeyYARAWGCBXONBEN-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.28
Rot. Bonds2

About 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one

2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one (PubChem CID 13269343) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one
PubChem CID13269343
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one
SMILESCC(C)CN1CCc2sc3ccccc3c(=O)c2C1
InChIInChI=1S/C16H19NOS/c1-11(2)9-17-8-7-15-13(10-17)16(18)12-5-3-4-6-14(12)19-15/h3-6,11H,7-10H2,1-2H3
InChIKeyYARAWGCBXONBEN-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one 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-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one?
The IUPAC name of 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one (CID 13269343) is 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one.
What is the SMILES notation for 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one?
The canonical SMILES for 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one is CC(C)CN1CCc2sc3ccccc3c(=O)c2C1.
What is the InChIKey of 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one?
The InChIKey is YARAWGCBXONBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11(2)9-17-8-7-15-13(10-17)16(18)12-5-3-4-6-14(12)19-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one?
2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one has a molecular weight of 273.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3,4-dihydro-1H-thiochromeno[3,2-c]pyridin-10-one is sourced from PubChem (CID 13269343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).