3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide

C10H17N3O3S — CID 88983253

IUPAC3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCN1C(=O)CC(S)C1=O
InChIInChI=1S/C10H17N3O3S/c1-11-3-4-12-8(14)2-5-13-9(15)6-7(17)10(13)16/h7,11,17H,2-6H2,1H3,(H,12,14)
InChIKeyLQQHLGMHSZRPHJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-1.23
Rot. Bonds6

About 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide

3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 88983253) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
PubChem CID88983253
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCN1C(=O)CC(S)C1=O
InChIInChI=1S/C10H17N3O3S/c1-11-3-4-12-8(14)2-5-13-9(15)6-7(17)10(13)16/h7,11,17H,2-6H2,1H3,(H,12,14)
InChIKeyLQQHLGMHSZRPHJ-UHFFFAOYSA-N
XLogP-1.23
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-[3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)propanoylamino]hexyl sulfanyl hydrogen phosphite
CID 166462592
N-[2-(methylamino)ethyl]-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 118491544
N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide
CID 137465708
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
4-amino-N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-6-methyl-5-oxooctanamide
CID 89353330
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 140650822
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide
CID 145127897
3-acetyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 59446018
2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 118201010
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide (CID 88983253) is 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)CCN1C(=O)CC(S)C1=O.
What is the InChIKey of 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is LQQHLGMHSZRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-11-3-4-12-8(14)2-5-13-9(15)6-7(17)10(13)16/h7,11,17H,2-6H2,1H3,(H,12,14).
What are the key properties of 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide?
3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 259.33 g/mol, XLogP of -1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 88983253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).