4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide

C14H22N2OS — CID 142416693

IUPAC4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide
SMILESC=CC1=C(/C(=C\C)N2CCS(=O)CC2)CCNC1
InChIInChI=1S/C14H22N2OS/c1-3-12-11-15-6-5-13(12)14(4-2)16-7-9-18(17)10-8-16/h3-4,15H,1,5-11H2,2H3/b14-4+
InChIKeyGUOYOBHJXPOACR-LNKIKWGQSA-N
MW266.41 g/mol
LogP1.43
Rot. Bonds3

About 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide

4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide (PubChem CID 142416693) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide
PubChem CID142416693
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide
SMILESC=CC1=C(/C(=C\C)N2CCS(=O)CC2)CCNC1
InChIInChI=1S/C14H22N2OS/c1-3-12-11-15-6-5-13(12)14(4-2)16-7-9-18(17)10-8-16/h3-4,15H,1,5-11H2,2H3/b14-4+
InChIKeyGUOYOBHJXPOACR-LNKIKWGQSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide (CID 142416693) is 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide is C=CC1=C(/C(=C\C)N2CCS(=O)CC2)CCNC1.
What is the InChIKey of 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide?
The InChIKey is GUOYOBHJXPOACR-LNKIKWGQSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-12-11-15-6-5-13(12)14(4-2)16-7-9-18(17)10-8-16/h3-4,15H,1,5-11H2,2H3/b14-4+.
What are the key properties of 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide?
4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide has a molecular weight of 266.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 142416693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).