4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide

C8H10N2O3S — CID 22461566

IUPAC4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide
SMILESCC1COS(=O)(=O)N1c1ccccn1
InChIInChI=1S/C8H10N2O3S/c1-7-6-13-14(11,12)10(7)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3
InChIKeyWJTQJXODMYBEOS-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.55
Rot. Bonds1

About 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide

4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide (PubChem CID 22461566) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide
PubChem CID22461566
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide
SMILESCC1COS(=O)(=O)N1c1ccccn1
InChIInChI=1S/C8H10N2O3S/c1-7-6-13-14(11,12)10(7)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3
InChIKeyWJTQJXODMYBEOS-UHFFFAOYSA-N
XLogP0.55
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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US11091488, Example 9
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2-Morpholinopyridine
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2-(Pyrrolidin-1-yl)pyridine
CID 11019020
(2S)-2-((3-fluoropyridin-2-yl)(methyl)amino)propan-1-ol
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2-(Ethylmethylamino)pyridine
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4-[(6-Pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
CID 5268063

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide?
The IUPAC name of 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide (CID 22461566) is 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide?
The canonical SMILES for 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide is CC1COS(=O)(=O)N1c1ccccn1.
What is the InChIKey of 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide?
The InChIKey is WJTQJXODMYBEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-7-6-13-14(11,12)10(7)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3.
What are the key properties of 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide?
4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide has a molecular weight of 214.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 22461566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).