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

C5H10NO2S- — CID 88701923

IUPAC2,2-dimethyl-4-oxido-1,3,4-oxathiazinane
SMILESCC1(C)OCCN([O-])S1
InChIInChI=1S/C5H10NO2S/c1-5(2)8-4-3-6(7)9-5/h3-4H2,1-2H3/q-1
InChIKeyOGDZVZLBYNKJJH-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.20
Rot. Bonds

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

2,2-dimethyl-4-oxido-1,3,4-oxathiazinane (PubChem CID 88701923) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane.

Molecular Properties

Compound Name2,2-dimethyl-4-oxido-1,3,4-oxathiazinane
PubChem CID88701923
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name2,2-dimethyl-4-oxido-1,3,4-oxathiazinane
SMILESCC1(C)OCCN([O-])S1
InChIInChI=1S/C5H10NO2S/c1-5(2)8-4-3-6(7)9-5/h3-4H2,1-2H3/q-1
InChIKeyOGDZVZLBYNKJJH-UHFFFAOYSA-N
XLogP1.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.20
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

2,2-Dimethyl-4-oxido-1,3,4-oxathiazinan-4-ium
CID 88701922
2-Methyl-4-oxido-1,3,4-oxathiazinane
CID 88702496

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane?
The IUPAC name of 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane (CID 88701923) is 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane.
What is the SMILES notation for 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane?
The canonical SMILES for 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane is CC1(C)OCCN([O-])S1.
What is the InChIKey of 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane?
The InChIKey is OGDZVZLBYNKJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2S/c1-5(2)8-4-3-6(7)9-5/h3-4H2,1-2H3/q-1.
What are the key properties of 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane?
2,2-dimethyl-4-oxido-1,3,4-oxathiazinane has a molecular weight of 148.21 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxido-1,3,4-oxathiazinane is sourced from PubChem (CID 88701923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).