4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide

C12H15NO2S — CID 58283179

IUPAC4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(/C=C/c2ccccc2)CC1
InChIInChI=1S/C12H15NO2S/c14-16(15)10-8-13(9-11-16)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2/b7-6+
InChIKeyIGBAQDXBJVQERG-VOTSOKGWSA-N
MW237.32 g/mol
LogP1.39
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide

4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283179) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283179
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(/C=C/c2ccccc2)CC1
InChIInChI=1S/C12H15NO2S/c14-16(15)10-8-13(9-11-16)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2/b7-6+
InChIKeyIGBAQDXBJVQERG-VOTSOKGWSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-phenylethenyl]azepane
CID 146169339
iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071
4-[(E)-2-phenylethenyl]thiomorpholine
CID 146169340
4-methyl-1-(2-phenylethenyl)piperidine
CID 174298455
4-prop-1-enyl-1,4-thiazinane 1,1-dioxide
CID 76740437
N-methyl-1-(2-phenylethenyl)piperidin-4-amine
CID 174773972
3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 91939030
(3S)-3-chloro-1-(2-phenylethenyl)piperidine
CID 174317120
1-[(E)-2-(4-bromophenyl)ethenyl]piperidine
CID 146169747
(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine
CID 134863569
1-(2-phenoxyethyl)-4-(2-phenylethenyl)piperazine
CID 174650325
1-(2-phenylethenyl)pyrrole-2,5-dione
CID 57168936

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide (CID 58283179) is 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(/C=C/c2ccccc2)CC1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is IGBAQDXBJVQERG-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-16(15)10-8-13(9-11-16)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2/b7-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide?
4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 237.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).