4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile

C10H11N3OS — CID 55211755

IUPAC4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCS(=O)CC2)ccn1
InChIInChI=1S/C10H11N3OS/c11-8-9-7-10(1-2-12-9)13-3-5-15(14)6-4-13/h1-2,7H,3-6H2
InChIKeyLGTBWPSWRGWAPP-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.52
Rot. Bonds1

About 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile

4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile (PubChem CID 55211755) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
PubChem CID55211755
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCS(=O)CC2)ccn1
InChIInChI=1S/C10H11N3OS/c11-8-9-7-10(1-2-12-9)13-3-5-15(14)6-4-13/h1-2,7H,3-6H2
InChIKeyLGTBWPSWRGWAPP-UHFFFAOYSA-N
XLogP0.52
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile (CID 55211755) is 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile is N#Cc1cc(N2CCS(=O)CC2)ccn1.
What is the InChIKey of 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile?
The InChIKey is LGTBWPSWRGWAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-8-9-7-10(1-2-12-9)13-3-5-15(14)6-4-13/h1-2,7H,3-6H2.
What are the key properties of 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile?
4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile has a molecular weight of 221.28 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 55211755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).