1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide

C13H18N2O4S — CID 168716672

IUPAC1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(C(CO)Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O4S/c14-20(18,19)12-7-13(17)15(8-12)11(9-16)6-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H2,14,18,19)
InChIKeyBUPSDOVMVKHWIW-UHFFFAOYSA-N
MW298.36 g/mol
LogP-0.52
Rot. Bonds5

About 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716672) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716672
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(C(CO)Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O4S/c14-20(18,19)12-7-13(17)15(8-12)11(9-16)6-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H2,14,18,19)
InChIKeyBUPSDOVMVKHWIW-UHFFFAOYSA-N
XLogP-0.52
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-3-phenylpropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168707836
4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168503437
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168655705
(2S)-3-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716607
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716634
1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716523
4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
CID 104570912
3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114010352

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168716672) is 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(C(CO)Cc2ccccc2)C1.
What is the InChIKey of 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is BUPSDOVMVKHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-20(18,19)12-7-13(17)15(8-12)11(9-16)6-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H2,14,18,19).
What are the key properties of 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).