2-methyl-4-oxido-1,3,4-oxathiazinane

C4H8NO2S- — CID 88702496

IUPAC2-methyl-4-oxido-1,3,4-oxathiazinane
SMILESCC1OCCN([O-])S1
InChIInChI=1S/C4H8NO2S/c1-4-7-3-2-5(6)8-4/h4H,2-3H2,1H3/q-1
InChIKeyMCYCYIOAKDCUNJ-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.81
Rot. Bonds

About 2-methyl-4-oxido-1,3,4-oxathiazinane

2-methyl-4-oxido-1,3,4-oxathiazinane (PubChem CID 88702496) has the molecular formula C4H8NO2S- and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methyl-4-oxido-1,3,4-oxathiazinane.

Molecular Properties

Compound Name2-methyl-4-oxido-1,3,4-oxathiazinane
PubChem CID88702496
Molecular FormulaC4H8NO2S-
Molecular Weight134.18 g/mol
Exact Mass134.03
IUPAC Name2-methyl-4-oxido-1,3,4-oxathiazinane
SMILESCC1OCCN([O-])S1
InChIInChI=1S/C4H8NO2S/c1-4-7-3-2-5(6)8-4/h4H,2-3H2,1H3/q-1
InChIKeyMCYCYIOAKDCUNJ-UHFFFAOYSA-N
XLogP0.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 87625341
(2R)-2-methyl-1-oxidoaziridine
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2,2-dimethyl-4-oxido-1,3,4-oxathiazinane
CID 88701923
(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane
CID 161136062
ethane;(2R)-2,3,4-trimethylmorpholine
CID 143986046
2,4-dimethylmorpholine;methanol
CID 156729518
N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine
CID 82729238
(2R,3R)-2,3-dimethyl-4-propan-2-ylmorpholine
CID 59817853
2-methyl-4-propan-2-ylmorpholine
CID 176666634
(2S)-2,4-dimethylmorpholine;propane
CID 178115221
(2S)-2,4-dimethylmorpholin-3-one
CID 163399028
N,2-dimethylmorpholin-4-amine
CID 123740948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxido-1,3,4-oxathiazinane?
The IUPAC name of 2-methyl-4-oxido-1,3,4-oxathiazinane (CID 88702496) is 2-methyl-4-oxido-1,3,4-oxathiazinane.
What is the SMILES notation for 2-methyl-4-oxido-1,3,4-oxathiazinane?
The canonical SMILES for 2-methyl-4-oxido-1,3,4-oxathiazinane is CC1OCCN([O-])S1.
What is the InChIKey of 2-methyl-4-oxido-1,3,4-oxathiazinane?
The InChIKey is MCYCYIOAKDCUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2S/c1-4-7-3-2-5(6)8-4/h4H,2-3H2,1H3/q-1.
What are the key properties of 2-methyl-4-oxido-1,3,4-oxathiazinane?
2-methyl-4-oxido-1,3,4-oxathiazinane has a molecular weight of 134.18 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxido-1,3,4-oxathiazinane is sourced from PubChem (CID 88702496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).