3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione

C7H12N2O2S — CID 43638415

IUPAC3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(SCCN)C1=O
InChIInChI=1S/C7H12N2O2S/c1-9-6(10)4-5(7(9)11)12-3-2-8/h5H,2-4,8H2,1H3
InChIKeyKUHPAXDYKWOSRX-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.56
Rot. Bonds3

About 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione

3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 43638415) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione
PubChem CID43638415
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(SCCN)C1=O
InChIInChI=1S/C7H12N2O2S/c1-9-6(10)4-5(7(9)11)12-3-2-8/h5H,2-4,8H2,1H3
InChIKeyKUHPAXDYKWOSRX-UHFFFAOYSA-N
XLogP-0.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.56
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

S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
CID 3056964
3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 43638417
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 15305425
(r)-4-Acetylthio-2-pyrrolidinone
CID 10313245
3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
CID 134840045
3-[Amino(fluoro)methyl]sulfanyl-1-propylpyrrolidine-2,5-dione
CID 132215110
3-(2-Aminoethylthio)-1-nonylpyrrolidine-2,5-dione
CID 512847
(3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione
CID 154815633
N-succinyl-S-acetylcysteamine
CID 129713559
3-(2-Aminoethyl)-5-ethyl-2,4-thiazolidinedione hydrobromide
CID 129799565
1-Butyl-3-(butylsulfanyl)pyrrolidine-2,5-dione
CID 426442
S-[(3S)-1-methyl-5-oxopyrrolidin-3-yl] ethanethioate
CID 10487428

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione (CID 43638415) is 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(SCCN)C1=O.
What is the InChIKey of 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is KUHPAXDYKWOSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-9-6(10)4-5(7(9)11)12-3-2-8/h5H,2-4,8H2,1H3.
What are the key properties of 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione?
3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 188.25 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).