[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H14N2O4S — CID 168682162

IUPAC[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C10H14N2O4S/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)
InChIKeyGATSAHXGBLIVEU-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.08
Rot. Bonds4

About [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682162) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682162
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C10H14N2O4S/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)
InChIKeyGATSAHXGBLIVEU-UHFFFAOYSA-N
XLogP-0.08
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163
[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 168682107
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
[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-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one
CID 83698973
[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681781
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 47004312
cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78780948
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682162) is [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is GATSAHXGBLIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/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 [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 258.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).