(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C10H12N2O3S — CID 80706861

IUPAC(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccncc1O)N1CCS(=O)CC1
InChIInChI=1S/C10H12N2O3S/c13-9-7-11-2-1-8(9)10(14)12-3-5-16(15)6-4-12/h1-2,7,13H,3-6H2
InChIKeyOOVUFKUMGBBVRU-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.01
Rot. Bonds1

About (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 80706861) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID80706861
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccncc1O)N1CCS(=O)CC1
InChIInChI=1S/C10H12N2O3S/c13-9-7-11-2-1-8(9)10(14)12-3-5-16(15)6-4-12/h1-2,7,13H,3-6H2
InChIKeyOOVUFKUMGBBVRU-UHFFFAOYSA-N
XLogP-0.01
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 80706861) is (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is O=C(c1ccncc1O)N1CCS(=O)CC1.
What is the InChIKey of (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is OOVUFKUMGBBVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-9-7-11-2-1-8(9)10(14)12-3-5-16(15)6-4-12/h1-2,7,13H,3-6H2.
What are the key properties of (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 240.28 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 80706861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).