2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide

C11H13N3O3S2 — CID 126826624

IUPAC2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
SMILESCC1(C)CNC(=O)C1NS(=O)(=O)c1ccsc1C#N
InChIInChI=1S/C11H13N3O3S2/c1-11(2)6-13-10(15)9(11)14-19(16,17)8-3-4-18-7(8)5-12/h3-4,9,14H,6H2,1-2H3,(H,13,15)
InChIKeyOAJICMPPBFYIGE-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.42
Rot. Bonds3

About 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide

2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide (PubChem CID 126826624) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
PubChem CID126826624
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
SMILESCC1(C)CNC(=O)C1NS(=O)(=O)c1ccsc1C#N
InChIInChI=1S/C11H13N3O3S2/c1-11(2)6-13-10(15)9(11)14-19(16,17)8-3-4-18-7(8)5-12/h3-4,9,14H,6H2,1-2H3,(H,13,15)
InChIKeyOAJICMPPBFYIGE-UHFFFAOYSA-N
XLogP0.42
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide
CID 136552437
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-1-phenylpyrazole-4-sulfonamide
CID 126826583
4-(4,4-dimethyl-2-oxopyrrolidin-3-yl)oxy-2-methylbenzonitrile
CID 143322717
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
(2S)-2-amino-N-[(3S)-3-(2-cyanothiophen-3-yl)pyrrolidin-3-yl]propanamide
CID 67060613
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 115881064
2-cyano-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62844933
4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628427
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187058
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 103743706
2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide
CID 18929784

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide (CID 126826624) is 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide is CC1(C)CNC(=O)C1NS(=O)(=O)c1ccsc1C#N.
What is the InChIKey of 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide?
The InChIKey is OAJICMPPBFYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-11(2)6-13-10(15)9(11)14-19(16,17)8-3-4-18-7(8)5-12/h3-4,9,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide?
2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 126826624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).