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

C11H15N3O3S — CID 168681812

IUPAC[1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESN#CC1=C(N2CC(CS(N)(=O)=O)CC2=O)CCC1
InChIInChI=1S/C11H15N3O3S/c12-5-9-2-1-3-10(9)14-6-8(4-11(14)15)7-18(13,16)17/h8H,1-4,6-7H2,(H2,13,16,17)
InChIKeyNIMSIAXTORSVTR-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.08
Rot. Bonds3

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

[1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681812) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681812
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name[1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESN#CC1=C(N2CC(CS(N)(=O)=O)CC2=O)CCC1
InChIInChI=1S/C11H15N3O3S/c12-5-9-2-1-3-10(9)14-6-8(4-11(14)15)7-18(13,16)17/h8H,1-4,6-7H2,(H2,13,16,17)
InChIKeyNIMSIAXTORSVTR-UHFFFAOYSA-N
XLogP0.08
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclopentene-1-carbonitrile
CID 168685134
[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682883
[1-(4-cyano-2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682303
[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683120
[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682878
[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681535
[1-(2-cyano-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681429
[1-(2-cyano-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682694
[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681764
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682382

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681812) is [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is N#CC1=C(N2CC(CS(N)(=O)=O)CC2=O)CCC1.
What is the InChIKey of [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is NIMSIAXTORSVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-5-9-2-1-3-10(9)14-6-8(4-11(14)15)7-18(13,16)17/h8H,1-4,6-7H2,(H2,13,16,17).
What are the key properties of [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).