3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide

C7H13NOS — CID 88539047

IUPAC3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide
SMILESC=C1CCS(=C)(=O)CN1C
InChIInChI=1S/C7H13NOS/c1-7-4-5-10(3,9)6-8(7)2/h1,3-6H2,2H3
InChIKeyIIFFDQIDOZVXJR-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.51
Rot. Bonds

About 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide

3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide (PubChem CID 88539047) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide.

Molecular Properties

Compound Name3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide
PubChem CID88539047
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide
SMILESC=C1CCS(=C)(=O)CN1C
InChIInChI=1S/C7H13NOS/c1-7-4-5-10(3,9)6-8(7)2/h1,3-6H2,2H3
InChIKeyIIFFDQIDOZVXJR-UHFFFAOYSA-N
XLogP0.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide?
The IUPAC name of 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide (CID 88539047) is 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide.
What is the SMILES notation for 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide?
The canonical SMILES for 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide is C=C1CCS(=C)(=O)CN1C.
What is the InChIKey of 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide?
The InChIKey is IIFFDQIDOZVXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7-4-5-10(3,9)6-8(7)2/h1,3-6H2,2H3.
What are the key properties of 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide?
3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide has a molecular weight of 159.25 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dimethylidene-1,3-thiazinane 1-oxide is sourced from PubChem (CID 88539047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).