3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide

C10H16N2O3S — CID 134840045

IUPAC3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
SMILESCCSC1CC(=O)N(CCC(=O)NC)C1=O
InChIInChI=1S/C10H16N2O3S/c1-3-16-7-6-9(14)12(10(7)15)5-4-8(13)11-2/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyDCWIJYOBEGWEQZ-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.00
Rot. Bonds5

About 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide

3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide (PubChem CID 134840045) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
PubChem CID134840045
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
SMILESCCSC1CC(=O)N(CCC(=O)NC)C1=O
InChIInChI=1S/C10H16N2O3S/c1-3-16-7-6-9(14)12(10(7)15)5-4-8(13)11-2/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyDCWIJYOBEGWEQZ-UHFFFAOYSA-N
XLogP0.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 43638417
Butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
CID 155804525
2-(cyclopentylthio)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789138
(r)-4-Acetylthio-2-pyrrolidinone
CID 10313245
3-[Amino(fluoro)methyl]sulfanyl-1-propylpyrrolidine-2,5-dione
CID 132215110
3-(2-Aminoethylthio)-1-nonylpyrrolidine-2,5-dione
CID 512847
3-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]-N-methylpropanamide
CID 139030455
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 47042757
1-Butyl-3-(butylsulfanyl)pyrrolidine-2,5-dione
CID 426442
(S)-S-(5-Oxopyrrolidin-3-yl) ethanethioate
CID 10534964
(4S)-4-(acetylsulfanyl)pyrrolidin-2-one
CID 14456882
5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide
CID 20760751

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide (CID 134840045) is 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide is CCSC1CC(=O)N(CCC(=O)NC)C1=O.
What is the InChIKey of 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide?
The InChIKey is DCWIJYOBEGWEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-16-7-6-9(14)12(10(7)15)5-4-8(13)11-2/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide?
3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide has a molecular weight of 244.32 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 134840045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).