(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone

C10H12N2O2S — CID 110743476

IUPAC(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCS(=O)CC1
InChIInChI=1S/C10H12N2O2S/c13-10(9-3-1-2-4-11-9)12-5-7-15(14)8-6-12/h1-4H,5-8H2
InChIKeyGCYREDOOZHTQGP-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.29
Rot. Bonds1

About (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone

(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone (PubChem CID 110743476) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
PubChem CID110743476
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCS(=O)CC1
InChIInChI=1S/C10H12N2O2S/c13-10(9-3-1-2-4-11-9)12-5-7-15(14)8-6-12/h1-4H,5-8H2
InChIKeyGCYREDOOZHTQGP-UHFFFAOYSA-N
XLogP0.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151128
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 55652947

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone?
The IUPAC name of (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone (CID 110743476) is (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCS(=O)CC1.
What is the InChIKey of (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone?
The InChIKey is GCYREDOOZHTQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-10(9-3-1-2-4-11-9)12-5-7-15(14)8-6-12/h1-4H,5-8H2.
What are the key properties of (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone?
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone has a molecular weight of 224.28 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 110743476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).