4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide

C11H13NO3S — CID 102230223

IUPAC4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(/C=C/c2ccccc2)CCO1
InChIInChI=1S/C11H13NO3S/c13-16(14)12-11(8-9-15-16)7-6-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2/b7-6+
InChIKeyHTUIBWZTZBSSLN-VOTSOKGWSA-N
MW239.30 g/mol
LogP1.32
Rot. Bonds2

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

4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide (PubChem CID 102230223) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide
PubChem CID102230223
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(/C=C/c2ccccc2)CCO1
InChIInChI=1S/C11H13NO3S/c13-16(14)12-11(8-9-15-16)7-6-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2/b7-6+
InChIKeyHTUIBWZTZBSSLN-VOTSOKGWSA-N
XLogP1.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
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(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
2-(2-phenylethenyl)pyrrolidine
CID 3705120
(2R)-2-[(Z)-2-phenylethenyl]azepane
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(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran
CID 85470685
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
(4R,4aR,8aR)-4-[(E)-2-phenylethenyl]-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-2-one
CID 102414577
(2R)-2-(2-phenylethenyl)morpholine
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2-[(E)-2-phenylethenyl]thiolane
CID 175715448

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide?
The IUPAC name of 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide (CID 102230223) is 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide?
The canonical SMILES for 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide is O=S1(=O)NC(/C=C/c2ccccc2)CCO1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide?
The InChIKey is HTUIBWZTZBSSLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-16(14)12-11(8-9-15-16)7-6-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2/b7-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide?
4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide has a molecular weight of 239.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide is sourced from PubChem (CID 102230223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).