3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine

C7H13NS — CID 123538834

IUPAC3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine
SMILESCCN1C=CCSC1C
InChIInChI=1S/C7H13NS/c1-3-8-5-4-6-9-7(8)2/h4-5,7H,3,6H2,1-2H3
InChIKeyVXUGTONOTOUBJM-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.91
Rot. Bonds1

About 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine

3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine (PubChem CID 123538834) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine.

Molecular Properties

Compound Name3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine
PubChem CID123538834
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine
SMILESCCN1C=CCSC1C
InChIInChI=1S/C7H13NS/c1-3-8-5-4-6-9-7(8)2/h4-5,7H,3,6H2,1-2H3
InChIKeyVXUGTONOTOUBJM-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine?
The IUPAC name of 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine (CID 123538834) is 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine.
What is the SMILES notation for 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine?
The canonical SMILES for 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine is CCN1C=CCSC1C.
What is the InChIKey of 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine?
The InChIKey is VXUGTONOTOUBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-8-5-4-6-9-7(8)2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine?
3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine has a molecular weight of 143.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2,6-dihydro-1,3-thiazine is sourced from PubChem (CID 123538834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).