(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid

C13H15NO5S — CID 129371860

IUPAC(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid
SMILESO=C(O)[C@@]1(NS(=O)(=O)/C=C/c2ccccc2)CCOC1
InChIInChI=1S/C13H15NO5S/c15-12(16)13(7-8-19-10-13)14-20(17,18)9-6-11-4-2-1-3-5-11/h1-6,9,14H,7-8,10H2,(H,15,16)/b9-6+/t13-/m1/s1
InChIKeyTTXFFNQLVBCEAL-YSKGHYERSA-N
MW297.33 g/mol
LogP0.82
Rot. Bonds5

About (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid

(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 129371860) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid
PubChem CID129371860
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid
SMILESO=C(O)[C@@]1(NS(=O)(=O)/C=C/c2ccccc2)CCOC1
InChIInChI=1S/C13H15NO5S/c15-12(16)13(7-8-19-10-13)14-20(17,18)9-6-11-4-2-1-3-5-11/h1-6,9,14H,7-8,10H2,(H,15,16)/b9-6+/t13-/m1/s1
InChIKeyTTXFFNQLVBCEAL-YSKGHYERSA-N
XLogP0.82
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid 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

4-[[(E)-2-phenylethenyl]sulfonylamino]oxane-4-carboxylic acid
CID 115291912
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
N-(1-methylcyclohexyl)-2-phenylethenesulfonamide
CID 70606649
3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888098
3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 106265659
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide
CID 91943052
(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
CID 114696836
3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid
CID 64890052
[(E)-2-phenylethenyl]sulfonylurea
CID 22750927
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid (CID 129371860) is (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid is O=C(O)[C@@]1(NS(=O)(=O)/C=C/c2ccccc2)CCOC1.
What is the InChIKey of (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is TTXFFNQLVBCEAL-YSKGHYERSA-N. The full InChI is InChI=1S/C13H15NO5S/c15-12(16)13(7-8-19-10-13)14-20(17,18)9-6-11-4-2-1-3-5-11/h1-6,9,14H,7-8,10H2,(H,15,16)/b9-6+/t13-/m1/s1.
What are the key properties of (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid?
(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 297.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 129371860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).