3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide

C11H22N2O2S — CID 115750111

IUPAC3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
SMILESCCS(=O)CCNC(=O)C1(CC)CCNC1
InChIInChI=1S/C11H22N2O2S/c1-3-11(5-6-12-9-11)10(14)13-7-8-16(15)4-2/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyFJPVKOUESYYJRH-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.26
Rot. Bonds6

About 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide

3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide (PubChem CID 115750111) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
PubChem CID115750111
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
SMILESCCS(=O)CCNC(=O)C1(CC)CCNC1
InChIInChI=1S/C11H22N2O2S/c1-3-11(5-6-12-9-11)10(14)13-7-8-16(15)4-2/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyFJPVKOUESYYJRH-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide
CID 115760353
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904
3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
CID 106134765
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]butanoate
CID 64575036
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide (CID 115750111) is 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide is CCS(=O)CCNC(=O)C1(CC)CCNC1.
What is the InChIKey of 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FJPVKOUESYYJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-11(5-6-12-9-11)10(14)13-7-8-16(15)4-2/h12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115750111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).