1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone

C9H17NO2S — CID 62918622

IUPAC1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)N1CCC(O)C1
InChIInChI=1S/C9H17NO2S/c1-7(2)13-6-9(12)10-4-3-8(11)5-10/h7-8,11H,3-6H2,1-2H3
InChIKeyFSKLKOLIUVABGO-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds3

About 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone

1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone (PubChem CID 62918622) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone
PubChem CID62918622
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)N1CCC(O)C1
InChIInChI=1S/C9H17NO2S/c1-7(2)13-6-9(12)10-4-3-8(11)5-10/h7-8,11H,3-6H2,1-2H3
InChIKeyFSKLKOLIUVABGO-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone (CID 62918622) is 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone is CC(C)SCC(=O)N1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone?
The InChIKey is FSKLKOLIUVABGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(2)13-6-9(12)10-4-3-8(11)5-10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone?
1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone has a molecular weight of 203.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-2-propan-2-ylsulfanylethanone is sourced from PubChem (CID 62918622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).