1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide

C15H22N2O3S — CID 168716400

IUPAC1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(C)C(c1ccccc1)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)14(11-7-5-4-6-8-11)17-10-12(9-13(17)18)21(16,19)20/h4-8,12,14H,9-10H2,1-3H3,(H2,16,19,20)
InChIKeySDYYPFBVIYANEP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.66
Rot. Bonds3

About 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide

1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716400) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716400
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(C)C(c1ccccc1)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)14(11-7-5-4-6-8-11)17-10-12(9-13(17)18)21(16,19)20/h4-8,12,14H,9-10H2,1-3H3,(H2,16,19,20)
InChIKeySDYYPFBVIYANEP-UHFFFAOYSA-N
XLogP1.66
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 168695593
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716672
1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716499
1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716593
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714742
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716523

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide (CID 168716400) is 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide is CC(C)(C)C(c1ccccc1)N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is SDYYPFBVIYANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(2,3)14(11-7-5-4-6-8-11)17-10-12(9-13(17)18)21(16,19)20/h4-8,12,14H,9-10H2,1-3H3,(H2,16,19,20).
What are the key properties of 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).