3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one

C10H12N2O2S — CID 47289034

IUPAC3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCSCC1
InChIInChI=1S/C10H12N2O2S/c13-9-8(2-1-3-11-9)10(14)12-4-6-15-7-5-12/h1-3H,4-7H2,(H,11,13)
InChIKeyDJDTWZAQLNCLJB-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.56
Rot. Bonds1

About 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one

3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one (PubChem CID 47289034) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one
PubChem CID47289034
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCSCC1
InChIInChI=1S/C10H12N2O2S/c13-9-8(2-1-3-11-9)10(14)12-4-6-15-7-5-12/h1-3H,4-7H2,(H,11,13)
InChIKeyDJDTWZAQLNCLJB-UHFFFAOYSA-N
XLogP0.56
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one (CID 47289034) is 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCSCC1.
What is the InChIKey of 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one?
The InChIKey is DJDTWZAQLNCLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-9-8(2-1-3-11-9)10(14)12-4-6-15-7-5-12/h1-3H,4-7H2,(H,11,13).
What are the key properties of 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one?
3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one has a molecular weight of 224.28 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 47289034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).