[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide

C10H14N2O3S2 — CID 168682163

IUPAC[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(Cc2cccs2)C1
InChIInChI=1S/C10H14N2O3S2/c11-17(14,15)7-8-4-10(13)12(5-8)6-9-2-1-3-16-9/h1-3,8H,4-7H2,(H2,11,14,15)
InChIKeyFHGRYSWTNQCWMP-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.39
Rot. Bonds4

About [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682163) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168682163
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(Cc2cccs2)C1
InChIInChI=1S/C10H14N2O3S2/c11-17(14,15)7-8-4-10(13)12(5-8)6-9-2-1-3-16-9/h1-3,8H,4-7H2,(H2,11,14,15)
InChIKeyFHGRYSWTNQCWMP-UHFFFAOYSA-N
XLogP0.39
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide
CID 168683228
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682162
N'-hydroxy-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboximidamide
CID 138111652
[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 168682107
methyl (3S)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
CID 6932471
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
[1-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682061
[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681781
[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677741
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844
[5-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681233

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (CID 168682163) is [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(Cc2cccs2)C1.
What is the InChIKey of [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FHGRYSWTNQCWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c11-17(14,15)7-8-4-10(13)12(5-8)6-9-2-1-3-16-9/h1-3,8H,4-7H2,(H2,11,14,15).
What are the key properties of [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 274.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).