3,5-dimethyl-1-methylidene-1,3-thiazinane

C7H15NS — CID 145167733

IUPAC3,5-dimethyl-1-methylidene-1,3-thiazinane
SMILESC=S1CC(C)CN(C)C1
InChIInChI=1S/C7H15NS/c1-7-4-8(2)6-9(3)5-7/h7H,3-6H2,1-2H3
InChIKeyXQINORCHNTWOES-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.23
Rot. Bonds

About 3,5-dimethyl-1-methylidene-1,3-thiazinane

3,5-dimethyl-1-methylidene-1,3-thiazinane (PubChem CID 145167733) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-methylidene-1,3-thiazinane.

Molecular Properties

Compound Name3,5-dimethyl-1-methylidene-1,3-thiazinane
PubChem CID145167733
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3,5-dimethyl-1-methylidene-1,3-thiazinane
SMILESC=S1CC(C)CN(C)C1
InChIInChI=1S/C7H15NS/c1-7-4-8(2)6-9(3)5-7/h7H,3-6H2,1-2H3
InChIKeyXQINORCHNTWOES-UHFFFAOYSA-N
XLogP1.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,5-dimethyl-1-methylidene-1,3-thiazinane?
The IUPAC name of 3,5-dimethyl-1-methylidene-1,3-thiazinane (CID 145167733) is 3,5-dimethyl-1-methylidene-1,3-thiazinane.
What is the SMILES notation for 3,5-dimethyl-1-methylidene-1,3-thiazinane?
The canonical SMILES for 3,5-dimethyl-1-methylidene-1,3-thiazinane is C=S1CC(C)CN(C)C1.
What is the InChIKey of 3,5-dimethyl-1-methylidene-1,3-thiazinane?
The InChIKey is XQINORCHNTWOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7-4-8(2)6-9(3)5-7/h7H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-methylidene-1,3-thiazinane?
3,5-dimethyl-1-methylidene-1,3-thiazinane has a molecular weight of 145.27 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-methylidene-1,3-thiazinane is sourced from PubChem (CID 145167733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).