3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione

C9H16N2O2S — CID 43638414

IUPAC3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(SCCN)C1=O
InChIInChI=1S/C9H16N2O2S/c1-6(2)11-8(12)5-7(9(11)13)14-4-3-10/h6-7H,3-5,10H2,1-2H3
InChIKeyJXJCQOGMOCPUKT-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.21
Rot. Bonds4

About 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione

3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43638414) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43638414
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(SCCN)C1=O
InChIInChI=1S/C9H16N2O2S/c1-6(2)11-8(12)5-7(9(11)13)14-4-3-10/h6-7H,3-5,10H2,1-2H3
InChIKeyJXJCQOGMOCPUKT-UHFFFAOYSA-N
XLogP0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.21
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-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 66217266
3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)sulfanyl-N'-sulfanylsulfinothioylpropanimidamide
CID 174026171
methyl 3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)sulfanyl-2-methylpropanoate
CID 66115115
3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
CID 512847
3-[(3-methyl-2-oxobutyl)disulfanyl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 130352569
3-(2-aminoethylsulfanyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione;hydrochloride
CID 66525512
methyl 3-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)sulfanyl-2-methylpropanoate
CID 66115561
2-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)sulfanylacetic acid
CID 43638328
3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
CID 66234193
(2,5-dioxo-3-propan-2-ylsulfanylpyrrolidin-1-yl) 2-methylpropanoate;1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
CID 159700204
3-(azetidin-3-ylmethylsulfanyl)-1-butan-2-ylpyrrolidine-2,5-dione
CID 66290545
1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione
CID 155453161

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione (CID 43638414) is 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(SCCN)C1=O.
What is the InChIKey of 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is JXJCQOGMOCPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6(2)11-8(12)5-7(9(11)13)14-4-3-10/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 216.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).