N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide

C11H22N2O2S — CID 115774837

IUPACN-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
SMILESCCS(=O)CCNC(=O)CCC1CCNC1
InChIInChI=1S/C11H22N2O2S/c1-2-16(15)8-7-13-11(14)4-3-10-5-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyMFFODNNIDADRPN-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.26
Rot. Bonds7

About N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide

N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 115774837) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID115774837
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
SMILESCCS(=O)CCNC(=O)CCC1CCNC1
InChIInChI=1S/C11H22N2O2S/c1-2-16(15)8-7-13-11(14)4-3-10-5-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyMFFODNNIDADRPN-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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 N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide 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-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115739346
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087
N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide
CID 119537644
2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
CID 103859907
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
N-[(1-propan-2-ylcyclopropyl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859941
N-(3-morpholin-4-yl-3-oxopropyl)-3-pyrrolidin-3-ylpropanamide
CID 115774812
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 113412815
N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide
CID 115774843
N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 103859922

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide (CID 115774837) is N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide is CCS(=O)CCNC(=O)CCC1CCNC1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is MFFODNNIDADRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-16(15)8-7-13-11(14)4-3-10-5-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide?
N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 246.38 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 115774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).