[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H22N2O4S — CID 168680182

IUPAC[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(C)[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H22N2O4S/c1-11(2,3)9(6-14)13-5-8(4-10(13)15)7-18(12,16)17/h8-9,14H,4-7H2,1-3H3,(H2,12,16,17)/t8?,9-/m1/s1
InChIKeyWWGCXMLDWKCOLL-YGPZHTELSA-N
MW278.37 g/mol
LogP-0.47
Rot. Bonds4

About [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680182) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680182
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(C)[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H22N2O4S/c1-11(2,3)9(6-14)13-5-8(4-10(13)15)7-18(12,16)17/h8-9,14H,4-7H2,1-3H3,(H2,12,16,17)/t8?,9-/m1/s1
InChIKeyWWGCXMLDWKCOLL-YGPZHTELSA-N
XLogP-0.47
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)methanesulfonamide
CID 168680649
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
(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
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
(2S)-4-methylsulfanyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168680339
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168680298
(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680322
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680220
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094

Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680182) is [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CC(C)(C)[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WWGCXMLDWKCOLL-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-11(2,3)9(6-14)13-5-8(4-10(13)15)7-18(12,16)17/h8-9,14H,4-7H2,1-3H3,(H2,12,16,17)/t8?,9-/m1/s1.
What are the key properties of [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).