(2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide

C8H10N2O2S — CID 140997050

IUPAC(2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide
SMILESCC1CN(c2ccccn2)[S@@](=O)O1
InChIInChI=1S/C8H10N2O2S/c1-7-6-10(13(11)12-7)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3/t7?,13-/m0/s1
InChIKeyVCSJKECEKPOKKY-GRSHUZJTSA-N
MW198.25 g/mol
LogP0.89
Rot. Bonds1

About (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide

(2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide (PubChem CID 140997050) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide.

Molecular Properties

Compound Name(2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide
PubChem CID140997050
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide
SMILESCC1CN(c2ccccn2)[S@@](=O)O1
InChIInChI=1S/C8H10N2O2S/c1-7-6-10(13(11)12-7)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3/t7?,13-/m0/s1
InChIKeyVCSJKECEKPOKKY-GRSHUZJTSA-N
XLogP0.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 102338604
4-methyl-3-pyridin-2-yloxathiazolidine 2,2-dioxide
CID 22461566
2-cyclopropyl-5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185571
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
5-chloro-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 141348618
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
2-(3-pyridin-2-yl-2H-imidazol-1-yl)pyridine;hydrochloride
CID 173112837
4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one
CID 23326517
(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
CID 163528665
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
(4-methyl-1-pyridin-2-ylpyrrolidin-2-yl)methanol
CID 59118037

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide?
The IUPAC name of (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide (CID 140997050) is (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide.
What is the SMILES notation for (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide?
The canonical SMILES for (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide is CC1CN(c2ccccn2)[S@@](=O)O1.
What is the InChIKey of (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide?
The InChIKey is VCSJKECEKPOKKY-GRSHUZJTSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-7-6-10(13(11)12-7)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3/t7?,13-/m0/s1.
What are the key properties of (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide?
(2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide has a molecular weight of 198.25 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-3-pyridin-2-yloxathiazolidine 2-oxide is sourced from PubChem (CID 140997050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).