1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide

C8H13N3O3S — CID 106256229

IUPAC1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NC1CCN(C)C1=O
InChIInChI=1S/C8H13N3O3S/c1-6(5-9)15(13,14)10-7-3-4-11(2)8(7)12/h6-7,10H,3-4H2,1-2H3
InChIKeyIJCHRMHIEIXGAR-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.95
Rot. Bonds3

About 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide

1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide (PubChem CID 106256229) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide
PubChem CID106256229
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NC1CCN(C)C1=O
InChIInChI=1S/C8H13N3O3S/c1-6(5-9)15(13,14)10-7-3-4-11(2)8(7)12/h6-7,10H,3-4H2,1-2H3
InChIKeyIJCHRMHIEIXGAR-UHFFFAOYSA-N
XLogP-0.95
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-3-(sulfamoylamino)pyrrolidine
CID 103682335
2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanenitrile
CID 106256838
3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile
CID 106257121
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
4-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106256335
2-(2-aminophenyl)sulfanyl-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106250267
3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one
CID 81384940
5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250243
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 106258566
2-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106256330
3-amino-4-fluoro-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250389
5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250330

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide (CID 106256229) is 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide is CC(C#N)S(=O)(=O)NC1CCN(C)C1=O.
What is the InChIKey of 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide?
The InChIKey is IJCHRMHIEIXGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-6(5-9)15(13,14)10-7-3-4-11(2)8(7)12/h6-7,10H,3-4H2,1-2H3.
What are the key properties of 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide?
1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 106256229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).