(6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide

C4H9NO3S — CID 169449032

IUPAC(6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide
SMILESC[C@@H]1CNS(=O)(=O)CO1
InChIInChI=1S/C4H9NO3S/c1-4-2-5-9(6,7)3-8-4/h4-5H,2-3H2,1H3/t4-/m1/s1
InChIKeyRTWGYFMOJQIMHI-SCSAIBSYSA-N
MW151.19 g/mol
LogP-0.72
Rot. Bonds

About (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide

(6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 169449032) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Name(6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID169449032
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name(6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide
SMILESC[C@@H]1CNS(=O)(=O)CO1
InChIInChI=1S/C4H9NO3S/c1-4-2-5-9(6,7)3-8-4/h4-5H,2-3H2,1H3/t4-/m1/s1
InChIKeyRTWGYFMOJQIMHI-SCSAIBSYSA-N
XLogP-0.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(6Z)-2-methyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine
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2-methylmorpholine;2,2,2-trifluoroacetic acid
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4,7-dimethyl-1,3,2-dioxathiepane 2,2-dioxide
CID 18615681
methanol;2-methylmorpholine
CID 144850934
(2S,5S)-2,5-dimethyl-1,4-oxazepane
CID 171424392
cyclobutane;2-methylmorpholine
CID 67675203
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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide (CID 169449032) is (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide is C[C@@H]1CNS(=O)(=O)CO1.
What is the InChIKey of (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is RTWGYFMOJQIMHI-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-4-2-5-9(6,7)3-8-4/h4-5H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide?
(6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 151.19 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 169449032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).