1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione

C10H17NO3S — CID 58571161

IUPAC1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(C(C)CCCO)C1=O
InChIInChI=1S/C10H17NO3S/c1-7(4-3-5-12)11-9(13)6-8(15-2)10(11)14/h7-8,12H,3-6H2,1-2H3
InChIKeyXHVURYGCSAYVCG-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.64
Rot. Bonds5

About 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione

1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 58571161) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID58571161
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(C(C)CCCO)C1=O
InChIInChI=1S/C10H17NO3S/c1-7(4-3-5-12)11-9(13)6-8(15-2)10(11)14/h7-8,12H,3-6H2,1-2H3
InChIKeyXHVURYGCSAYVCG-UHFFFAOYSA-N
XLogP0.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.64
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-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione (CID 58571161) is 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione is CSC1CC(=O)N(C(C)CCCO)C1=O.
What is the InChIKey of 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is XHVURYGCSAYVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(4-3-5-12)11-9(13)6-8(15-2)10(11)14/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione?
1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 231.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 58571161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).