3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione

C11H20N2O2S — CID 129268851

IUPAC3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(CCNC(C)C)C1=O
InChIInChI=1S/C11H20N2O2S/c1-4-16-9-7-10(14)13(11(9)15)6-5-12-8(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyLORCRFNHZHMIBH-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.87
Rot. Bonds6

About 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione

3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione (PubChem CID 129268851) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
PubChem CID129268851
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(CCNC(C)C)C1=O
InChIInChI=1S/C11H20N2O2S/c1-4-16-9-7-10(14)13(11(9)15)6-5-12-8(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyLORCRFNHZHMIBH-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.87
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-ethylsulfanyl-1-heptylpyrrolidine-2,5-dione
CID 142573295
3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 20805537
1-(5-methylhexyl)-3-(2-methylpropylsulfanyl)pyrrolidine-2,5-dione
CID 154948740
1-benzyl-3-ethylsulfanylpyrrolidine-2,5-dione
CID 132966694
1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130466769
2-[2-(propan-2-ylamino)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 62662883
3-[(2R)-2,3-dimethylbutyl]sulfanyl-1-(5,5-dimethylhexyl)pyrrolidine-2,5-dione
CID 134175279
1-[2-(propan-2-ylamino)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708064
N-[2-[3-(4-imino-5-methylhexyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pentanamide
CID 154988251
3-(2-amino-4-methyl-3-oxopentyl)sulfanyl-1-ethylpyrrolidine-2,5-dione
CID 167447952
1-ethyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione
CID 162242398
3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
CID 512847

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione (CID 129268851) is 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione is CCSC1CC(=O)N(CCNC(C)C)C1=O.
What is the InChIKey of 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione?
The InChIKey is LORCRFNHZHMIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-16-9-7-10(14)13(11(9)15)6-5-12-8(2)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione?
3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione has a molecular weight of 244.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 129268851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).