2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine

C13H21NS — CID 155748981

IUPAC2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine
SMILESC=CC(C)C1SCC(/C=C/C)=C(C)N1C
InChIInChI=1S/C13H21NS/c1-6-8-12-9-15-13(10(3)7-2)14(5)11(12)4/h6-8,10,13H,2,9H2,1,3-5H3/b8-6+
InChIKeyFNOMICJLDCIVPM-SOFGYWHQSA-N
MW223.38 g/mol
LogP3.66
Rot. Bonds3

About 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine

2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine (PubChem CID 155748981) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine.

Molecular Properties

Compound Name2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine
PubChem CID155748981
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine
SMILESC=CC(C)C1SCC(/C=C/C)=C(C)N1C
InChIInChI=1S/C13H21NS/c1-6-8-12-9-15-13(10(3)7-2)14(5)11(12)4/h6-8,10,13H,2,9H2,1,3-5H3/b8-6+
InChIKeyFNOMICJLDCIVPM-SOFGYWHQSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine?
The IUPAC name of 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine (CID 155748981) is 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine.
What is the SMILES notation for 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine?
The canonical SMILES for 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine is C=CC(C)C1SCC(/C=C/C)=C(C)N1C.
What is the InChIKey of 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine?
The InChIKey is FNOMICJLDCIVPM-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H21NS/c1-6-8-12-9-15-13(10(3)7-2)14(5)11(12)4/h6-8,10,13H,2,9H2,1,3-5H3/b8-6+.
What are the key properties of 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine?
2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine has a molecular weight of 223.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-3,4-dimethyl-5-[(E)-prop-1-enyl]-2,6-dihydro-1,3-thiazine is sourced from PubChem (CID 155748981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).