5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine

C8H13NS — CID 144852932

IUPAC5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine
SMILESC/C=C(\C)C1=CSCCN1
InChIInChI=1S/C8H13NS/c1-3-7(2)8-6-10-5-4-9-8/h3,6,9H,4-5H2,1-2H3/b7-3+
InChIKeyGUYNJECVMYCZCN-XVNBXDOJSA-N
MW155.27 g/mol
LogP2.13
Rot. Bonds1

About 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine

5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine (PubChem CID 144852932) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine
PubChem CID144852932
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine
SMILESC/C=C(\C)C1=CSCCN1
InChIInChI=1S/C8H13NS/c1-3-7(2)8-6-10-5-4-9-8/h3,6,9H,4-5H2,1-2H3/b7-3+
InChIKeyGUYNJECVMYCZCN-XVNBXDOJSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,1-Difluoroethyl)-3-(methylsulfanylmethyl)-1,2-dihydropyridine
CID 122429864
5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine
CID 89341111
4-Ethylsulfanyl-5-methyl-6-(2-methylprop-1-enyl)-1,2-dihydropyridine
CID 138614558
6-Methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine
CID 139572219
7-Methyl-2,3,4,9a-tetrahydrocyclohepta[b][1,4]thiazine
CID 141812621
(3-Methyl-1,2-dihydropyridin-6-yl)methanethiol
CID 141981794
2-Methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole
CID 143124040
2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
CID 143124042
2-methyl-4-(1-methyl-2H-pyridin-5-yl)-2,3-dihydro-1,3-thiazole
CID 143707900
5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane
CID 144852931
(2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine
CID 146535222
3-Ethyl-7-methyl-4,5-dihydro-1,4-thiazepine
CID 155206726

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine (CID 144852932) is 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine is C/C=C(\C)C1=CSCCN1.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is GUYNJECVMYCZCN-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-7(2)8-6-10-5-4-9-8/h3,6,9H,4-5H2,1-2H3/b7-3+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine?
5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 155.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 144852932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).