(6S)-6-methyl-1,3-oxathiane 3,3-dioxide

C5H10O3S — CID 134895195

IUPAC(6S)-6-methyl-1,3-oxathiane 3,3-dioxide
SMILESC[C@H]1CCS(=O)(=O)CO1
InChIInChI=1S/C5H10O3S/c1-5-2-3-9(6,7)4-8-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyNOGLTCISXGHJAN-YFKPBYRVSA-N
MW150.20 g/mol
LogP0.17
Rot. Bonds

About (6S)-6-methyl-1,3-oxathiane 3,3-dioxide

(6S)-6-methyl-1,3-oxathiane 3,3-dioxide (PubChem CID 134895195) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (6S)-6-methyl-1,3-oxathiane 3,3-dioxide.

Molecular Properties

Compound Name(6S)-6-methyl-1,3-oxathiane 3,3-dioxide
PubChem CID134895195
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(6S)-6-methyl-1,3-oxathiane 3,3-dioxide
SMILESC[C@H]1CCS(=O)(=O)CO1
InChIInChI=1S/C5H10O3S/c1-5-2-3-9(6,7)4-8-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyNOGLTCISXGHJAN-YFKPBYRVSA-N
XLogP0.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-1,3-oxathiane 3,3-dioxide?
The IUPAC name of (6S)-6-methyl-1,3-oxathiane 3,3-dioxide (CID 134895195) is (6S)-6-methyl-1,3-oxathiane 3,3-dioxide.
What is the SMILES notation for (6S)-6-methyl-1,3-oxathiane 3,3-dioxide?
The canonical SMILES for (6S)-6-methyl-1,3-oxathiane 3,3-dioxide is C[C@H]1CCS(=O)(=O)CO1.
What is the InChIKey of (6S)-6-methyl-1,3-oxathiane 3,3-dioxide?
The InChIKey is NOGLTCISXGHJAN-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5-2-3-9(6,7)4-8-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (6S)-6-methyl-1,3-oxathiane 3,3-dioxide?
(6S)-6-methyl-1,3-oxathiane 3,3-dioxide has a molecular weight of 150.20 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-1,3-oxathiane 3,3-dioxide is sourced from PubChem (CID 134895195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).