[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C8H16N2O4S — CID 168680344

IUPAC[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESC[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C8H16N2O4S/c1-6(4-11)10-3-7(2-8(10)12)5-15(9,13)14/h6-7,11H,2-5H2,1H3,(H2,9,13,14)/t6-,7?/m0/s1
InChIKeyRJSCGHKLCWIVSW-PKPIPKONSA-N
MW236.29 g/mol
LogP-1.50
Rot. Bonds4

About [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680344) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680344
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESC[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C8H16N2O4S/c1-6(4-11)10-3-7(2-8(10)12)5-15(9,13)14/h6-7,11H,2-5H2,1H3,(H2,9,13,14)/t6-,7?/m0/s1
InChIKeyRJSCGHKLCWIVSW-PKPIPKONSA-N
XLogP-1.50
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680182
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 131038054
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680220
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-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
CID 168672525

Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680344) is [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is C[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RJSCGHKLCWIVSW-PKPIPKONSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6(4-11)10-3-7(2-8(10)12)5-15(9,13)14/h6-7,11H,2-5H2,1H3,(H2,9,13,14)/t6-,7?/m0/s1.
What are the key properties of [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 236.29 g/mol, XLogP of -1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).