6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C13H21N3O2S — CID 82916460

IUPAC6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESO=C1CCC2CN(C(=O)C3CSCCN3)CCC2N1
InChIInChI=1S/C13H21N3O2S/c17-12-2-1-9-7-16(5-3-10(9)15-12)13(18)11-8-19-6-4-14-11/h9-11,14H,1-8H2,(H,15,17)
InChIKeySTAJPXJMRBVAST-UHFFFAOYSA-N
MW283.40 g/mol
LogP-0.18
Rot. Bonds1

About 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 82916460) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID82916460
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESO=C1CCC2CN(C(=O)C3CSCCN3)CCC2N1
InChIInChI=1S/C13H21N3O2S/c17-12-2-1-9-7-16(5-3-10(9)15-12)13(18)11-8-19-6-4-14-11/h9-11,14H,1-8H2,(H,15,17)
InChIKeySTAJPXJMRBVAST-UHFFFAOYSA-N
XLogP-0.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one with MolForge

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Related Compounds

6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 104914426
6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 83193225
6-(2-sulfanylpropanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 107033206
4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid
CID 82908492
N-methyl-2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbothioamide
CID 116509600
1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one
CID 83816303
(3S)-3-(piperidine-1-carbonyl)-1,4-thiazepan-5-one
CID 95986299
6-(4-sulfanylbenzoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 107033208
6-bromo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 174453871
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119999589
6-(2-amino-5-chloropyridine-4-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 114924225
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769

Frequently Asked Questions

What is the IUPAC name of 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 82916460) is 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is O=C1CCC2CN(C(=O)C3CSCCN3)CCC2N1.
What is the InChIKey of 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is STAJPXJMRBVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-12-2-1-9-7-16(5-3-10(9)15-12)13(18)11-8-19-6-4-14-11/h9-11,14H,1-8H2,(H,15,17).
What are the key properties of 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 283.40 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 82916460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).