3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine

C7H13NS — CID 135220125

IUPAC3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine
SMILESCCC1CSC=C(C)N1
InChIInChI=1S/C7H13NS/c1-3-7-5-9-4-6(2)8-7/h4,7-8H,3,5H2,1-2H3
InChIKeyAYDMMKWMQNLKDY-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.96
Rot. Bonds1

About 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine

3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 135220125) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine
PubChem CID135220125
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine
SMILESCCC1CSC=C(C)N1
InChIInChI=1S/C7H13NS/c1-3-7-5-9-4-6(2)8-7/h4,7-8H,3,5H2,1-2H3
InChIKeyAYDMMKWMQNLKDY-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine (CID 135220125) is 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine is CCC1CSC=C(C)N1.
What is the InChIKey of 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is AYDMMKWMQNLKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-7-5-9-4-6(2)8-7/h4,7-8H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine?
3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 143.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 135220125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).