3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione

C11H18N2O2S — CID 66234193

IUPAC3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
SMILESCC(N)CCSC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C11H18N2O2S/c1-7(12)4-5-16-9-6-10(14)13(11(9)15)8-2-3-8/h7-9H,2-6,12H2,1H3
InChIKeyPWXKWJPPYKUAOR-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.75
Rot. Bonds5

About 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione

3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 66234193) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID66234193
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
SMILESCC(N)CCSC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C11H18N2O2S/c1-7(12)4-5-16-9-6-10(14)13(11(9)15)8-2-3-8/h7-9H,2-6,12H2,1H3
InChIKeyPWXKWJPPYKUAOR-UHFFFAOYSA-N
XLogP0.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.75
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-(1-aminopropan-2-ylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
CID 66219616
3-(3-amino-2-methylpropyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
CID 66227493
3-(4-aminobutan-2-ylsulfanyl)-1-cycloheptylpyrrolidine-2,5-dione
CID 66231168
3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
CID 43638375
3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 66217266
3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43638414
3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione
CID 43638572
3-methyl-1-[4-(2-methylbutanoyl)cyclohexyl]pyrrolidine-2,5-dione
CID 176680041
2-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoic acid
CID 81222893
ethane;3-methyl-1-[4-(2-methylbutanoyl)cyclohexyl]pyrrolidine-2,5-dione
CID 176680040
3-(3-methylbutylsulfanyl)-1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione
CID 170530784
1-cyclopropyl-3-(propan-2-ylamino)pyrrolidine-2,5-dione
CID 43636083

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione (CID 66234193) is 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione is CC(N)CCSC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is PWXKWJPPYKUAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(12)4-5-16-9-6-10(14)13(11(9)15)8-2-3-8/h7-9H,2-6,12H2,1H3.
What are the key properties of 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione?
3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 242.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 66234193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).