4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide

C10H14N2O2S — CID 167230031

IUPAC4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide
SMILESCc1cccc(N=S2(=O)CCOCC2)n1
InChIInChI=1S/C10H14N2O2S/c1-9-3-2-4-10(11-9)12-15(13)7-5-14-6-8-15/h2-4H,5-8H2,1H3
InChIKeySHEXZNCODZZWOV-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.52
Rot. Bonds1

About 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide

4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide (PubChem CID 167230031) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide
PubChem CID167230031
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide
SMILESCc1cccc(N=S2(=O)CCOCC2)n1
InChIInChI=1S/C10H14N2O2S/c1-9-3-2-4-10(11-9)12-15(13)7-5-14-6-8-15/h2-4H,5-8H2,1H3
InChIKeySHEXZNCODZZWOV-UHFFFAOYSA-N
XLogP1.52
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide (CID 167230031) is 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide is Cc1cccc(N=S2(=O)CCOCC2)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide?
The InChIKey is SHEXZNCODZZWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-9-3-2-4-10(11-9)12-15(13)7-5-14-6-8-15/h2-4H,5-8H2,1H3.
What are the key properties of 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide?
4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide has a molecular weight of 226.30 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)imino]-1,4-oxathiane 4-oxide is sourced from PubChem (CID 167230031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).