1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione

C8H13NO3S — CID 58331306

IUPAC1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CCCO)C1=O
InChIInChI=1S/C8H13NO3S/c1-13-6-5-7(11)9(8(6)12)3-2-4-10/h6,10H,2-5H2,1H3
InChIKeyDCGDXTVMHLSUOK-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.14
Rot. Bonds4

About 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione

1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 58331306) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID58331306
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CCCO)C1=O
InChIInChI=1S/C8H13NO3S/c1-13-6-5-7(11)9(8(6)12)3-2-4-10/h6,10H,2-5H2,1H3
InChIKeyDCGDXTVMHLSUOK-UHFFFAOYSA-N
XLogP-0.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione (CID 58331306) is 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione is CSC1CC(=O)N(CCCO)C1=O.
What is the InChIKey of 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is DCGDXTVMHLSUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-13-6-5-7(11)9(8(6)12)3-2-4-10/h6,10H,2-5H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione?
1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 203.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 58331306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).