4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine

C4H9NO3S — CID 142565948

IUPAC4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine
SMILESCC1=NOCCS1(O)O
InChIInChI=1S/C4H9NO3S/c1-4-5-8-2-3-9(4,6)7/h6-7H,2-3H2,1H3
InChIKeyKCJQVYOEHDDJAF-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.10
Rot. Bonds

About 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine

4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine (PubChem CID 142565948) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine.

Molecular Properties

Compound Name4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine
PubChem CID142565948
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine
SMILESCC1=NOCCS1(O)O
InChIInChI=1S/C4H9NO3S/c1-4-5-8-2-3-9(4,6)7/h6-7H,2-3H2,1H3
InChIKeyKCJQVYOEHDDJAF-UHFFFAOYSA-N
XLogP1.10
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4,5-dihydro-1,2-oxazole
CID 12959090
1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 143618113
ethane;3-methyl-4,5-dihydro-1,2-oxazole;toluene
CID 143617792
3-prop-1-ynyl-4,5-dihydro-1,2-oxazole
CID 14443644
dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol
CID 118553097
3-methyl-4-sulfanyl-5,6-dihydro-1,2,4-oxadiazine
CID 176680689
4,5-dihydro-1,2-oxazol-3-ylphosphonic acid
CID 54337870
3,4,10,11,17,18-hexamethyl-1,6,8,13,15,20-hexaoxa-2,5,9,12,16,19-hexazacyclohenicosa-2,4,9,11,16,18-hexaene
CID 535829
3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane
CID 91101327
1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine
CID 72509688
4,5-dihydro-1,2-oxazole-3-carbothialdehyde
CID 174587737
ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol
CID 143101190

Frequently Asked Questions

What is the IUPAC name of 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine?
The IUPAC name of 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine (CID 142565948) is 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine.
What is the SMILES notation for 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine?
The canonical SMILES for 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine is CC1=NOCCS1(O)O.
What is the InChIKey of 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine?
The InChIKey is KCJQVYOEHDDJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-4-5-8-2-3-9(4,6)7/h6-7H,2-3H2,1H3.
What are the key properties of 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine?
4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine has a molecular weight of 151.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihydroxy-3-methyl-5,6-dihydro-1,4,2-oxathiazine is sourced from PubChem (CID 142565948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).