[1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C14H20N2O4S2 — CID 168680528

IUPAC[1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(C)C(=O)c1ccsc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C14H20N2O4S2/c1-14(2,3)12(18)10-4-5-21-13(10)16-7-9(6-11(16)17)8-22(15,19)20/h4-5,9H,6-8H2,1-3H3,(H2,15,19,20)
InChIKeyVVXOVDNTPIBXPB-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.62
Rot. Bonds4

About [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680528) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680528
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name[1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(C)C(=O)c1ccsc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C14H20N2O4S2/c1-14(2,3)12(18)10-4-5-21-13(10)16-7-9(6-11(16)17)8-22(15,19)20/h4-5,9H,6-8H2,1-3H3,(H2,15,19,20)
InChIKeyVVXOVDNTPIBXPB-UHFFFAOYSA-N
XLogP1.62
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 168669845
methyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
CID 168507386
methyl 2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 168670063
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(2-acetyl-4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680717
tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate
CID 168696019
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682571
6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168682617
[1-[4-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683084
4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168681151
4,5-difluoro-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682235

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680528) is [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CC(C)(C)C(=O)c1ccsc1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is VVXOVDNTPIBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-14(2,3)12(18)10-4-5-21-13(10)16-7-9(6-11(16)17)8-22(15,19)20/h4-5,9H,6-8H2,1-3H3,(H2,15,19,20).
What are the key properties of [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).