[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide

C14H20N2O3S — CID 168680676

IUPAC[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)c1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C14H20N2O3S/c1-10(2)12-4-3-5-13(7-12)16-8-11(6-14(16)17)9-20(15,18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,15,18,19)
InChIKeyCXBRIEKPPVKYGN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.45
Rot. Bonds4

About [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680676) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168680676
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)c1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C14H20N2O3S/c1-10(2)12-4-3-5-13(7-12)16-8-11(6-14(16)17)9-20(15,18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,15,18,19)
InChIKeyCXBRIEKPPVKYGN-UHFFFAOYSA-N
XLogP1.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168503684
[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683120
[1-[3-(hydrazinecarbonyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683124
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[5-oxo-1-[3-(trifluoromethylsulfanyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683188
4-chloro-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168687326
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[5-oxo-1-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683137
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683138
[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680272

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide (CID 168680676) is [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide is CC(C)c1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1.
What is the InChIKey of [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is CXBRIEKPPVKYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)12-4-3-5-13(7-12)16-8-11(6-14(16)17)9-20(15,18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,15,18,19).
What are the key properties of [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).