3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide

C12H18N2O4S — CID 58445915

IUPAC3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSC1CC(=O)N(C(=O)CC)C1=O
InChIInChI=1S/C12H18N2O4S/c1-3-10(16)14-11(17)7-8(12(14)18)19-6-5-9(15)13-4-2/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyDUECAZSUHVOUDP-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.31
Rot. Bonds6

About 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide

3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide (PubChem CID 58445915) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide
PubChem CID58445915
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSC1CC(=O)N(C(=O)CC)C1=O
InChIInChI=1S/C12H18N2O4S/c1-3-10(16)14-11(17)7-8(12(14)18)19-6-5-9(15)13-4-2/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyDUECAZSUHVOUDP-UHFFFAOYSA-N
XLogP0.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide (CID 58445915) is 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide is CCNC(=O)CCSC1CC(=O)N(C(=O)CC)C1=O.
What is the InChIKey of 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide?
The InChIKey is DUECAZSUHVOUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-10(16)14-11(17)7-8(12(14)18)19-6-5-9(15)13-4-2/h8H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide?
3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 58445915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).