(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide

C8H16N2O3S — CID 168680649

IUPAC(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
SMILESCC(C)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C8H16N2O3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3,(H2,9,12,13)
InChIKeyUQBGGHIXAPVJKA-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.47
Rot. Bonds3

About (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide

(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 168680649) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
PubChem CID168680649
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
SMILESCC(C)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C8H16N2O3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3,(H2,9,12,13)
InChIKeyUQBGGHIXAPVJKA-UHFFFAOYSA-N
XLogP-0.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680182
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
CID 168680383
(2S)-4-methylsulfanyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168680339
[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680220

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide (CID 168680649) is (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide is CC(C)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is UQBGGHIXAPVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3,(H2,9,12,13).
What are the key properties of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide?
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 168680649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).