3-methyl-1-methylidene-1,3-thiazinane

C6H13NS — CID 145167724

IUPAC3-methyl-1-methylidene-1,3-thiazinane
SMILESC=S1CCCN(C)C1
InChIInChI=1S/C6H13NS/c1-7-4-3-5-8(2)6-7/h2-6H2,1H3
InChIKeyYJBWXBCASMEHQK-UHFFFAOYSA-N
MW131.24 g/mol
LogP0.98
Rot. Bonds

About 3-methyl-1-methylidene-1,3-thiazinane

3-methyl-1-methylidene-1,3-thiazinane (PubChem CID 145167724) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-methyl-1-methylidene-1,3-thiazinane.

Molecular Properties

Compound Name3-methyl-1-methylidene-1,3-thiazinane
PubChem CID145167724
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-methyl-1-methylidene-1,3-thiazinane
SMILESC=S1CCCN(C)C1
InChIInChI=1S/C6H13NS/c1-7-4-3-5-8(2)6-7/h2-6H2,1H3
InChIKeyYJBWXBCASMEHQK-UHFFFAOYSA-N
XLogP0.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 50.98
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-methyl-1-methylidene-1,3-thiazinane?
The IUPAC name of 3-methyl-1-methylidene-1,3-thiazinane (CID 145167724) is 3-methyl-1-methylidene-1,3-thiazinane.
What is the SMILES notation for 3-methyl-1-methylidene-1,3-thiazinane?
The canonical SMILES for 3-methyl-1-methylidene-1,3-thiazinane is C=S1CCCN(C)C1.
What is the InChIKey of 3-methyl-1-methylidene-1,3-thiazinane?
The InChIKey is YJBWXBCASMEHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-7-4-3-5-8(2)6-7/h2-6H2,1H3.
What are the key properties of 3-methyl-1-methylidene-1,3-thiazinane?
3-methyl-1-methylidene-1,3-thiazinane has a molecular weight of 131.24 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylidene-1,3-thiazinane is sourced from PubChem (CID 145167724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).