6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C9H16N2O2S — CID 131043404

IUPAC6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCS(=O)N1CCC2NC(=O)CCC2C1
InChIInChI=1S/C9H16N2O2S/c1-14(13)11-5-4-8-7(6-11)2-3-9(12)10-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeySDKQZVVDORCAKQ-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.12
Rot. Bonds1

About 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 131043404) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID131043404
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCS(=O)N1CCC2NC(=O)CCC2C1
InChIInChI=1S/C9H16N2O2S/c1-14(13)11-5-4-8-7(6-11)2-3-9(12)10-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeySDKQZVVDORCAKQ-UHFFFAOYSA-N
XLogP-0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-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 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 131043404) is 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is CS(=O)N1CCC2NC(=O)CCC2C1.
What is the InChIKey of 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is SDKQZVVDORCAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-14(13)11-5-4-8-7(6-11)2-3-9(12)10-8/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 216.31 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfinyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 131043404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).