3-ethyl-2-methylidene-1,3-thiazinane

C7H13NS — CID 20747213

IUPAC3-ethyl-2-methylidene-1,3-thiazinane
SMILESC=C1SCCCN1CC
InChIInChI=1S/C7H13NS/c1-3-8-5-4-6-9-7(8)2/h2-6H2,1H3
InChIKeyIXOAMDDOAWGCFV-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.92
Rot. Bonds1

About 3-ethyl-2-methylidene-1,3-thiazinane

3-ethyl-2-methylidene-1,3-thiazinane (PubChem CID 20747213) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-ethyl-2-methylidene-1,3-thiazinane.

Molecular Properties

Compound Name3-ethyl-2-methylidene-1,3-thiazinane
PubChem CID20747213
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-ethyl-2-methylidene-1,3-thiazinane
SMILESC=C1SCCCN1CC
InChIInChI=1S/C7H13NS/c1-3-8-5-4-6-9-7(8)2/h2-6H2,1H3
InChIKeyIXOAMDDOAWGCFV-UHFFFAOYSA-N
XLogP1.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylidene-1,3-thiazinane?
The IUPAC name of 3-ethyl-2-methylidene-1,3-thiazinane (CID 20747213) is 3-ethyl-2-methylidene-1,3-thiazinane.
What is the SMILES notation for 3-ethyl-2-methylidene-1,3-thiazinane?
The canonical SMILES for 3-ethyl-2-methylidene-1,3-thiazinane is C=C1SCCCN1CC.
What is the InChIKey of 3-ethyl-2-methylidene-1,3-thiazinane?
The InChIKey is IXOAMDDOAWGCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-8-5-4-6-9-7(8)2/h2-6H2,1H3.
What are the key properties of 3-ethyl-2-methylidene-1,3-thiazinane?
3-ethyl-2-methylidene-1,3-thiazinane has a molecular weight of 143.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylidene-1,3-thiazinane is sourced from PubChem (CID 20747213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).