1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol

C11H21NO3S — CID 115688453

IUPAC1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol
SMILESCC(C)C1CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C11H21NO3S/c1-8(2)9-3-4-12(5-9)10-6-16(14,15)7-11(10)13/h8-11,13H,3-7H2,1-2H3
InChIKeyVLOYHVPGQLJPQN-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.12
Rot. Bonds2

About 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol

1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol (PubChem CID 115688453) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol
PubChem CID115688453
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol
SMILESCC(C)C1CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C11H21NO3S/c1-8(2)9-3-4-12(5-9)10-6-16(14,15)7-11(10)13/h8-11,13H,3-7H2,1-2H3
InChIKeyVLOYHVPGQLJPQN-UHFFFAOYSA-N
XLogP0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 61224263
(3S,4S)-4-(aziridin-1-yl)-1,1-dioxothiolan-3-ol
CID 6357828
1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol
CID 63170950
(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
CID 122236872
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 60666013
4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol
CID 60968587
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol
CID 66371342
2-[4-(4-hydroxy-1,1-dioxothiolan-3-yl)piperazin-1-yl]propanenitrile
CID 63339027
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidin-3-ol
CID 103728756
4-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carbaldehyde
CID 99976976

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol (CID 115688453) is 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol is CC(C)C1CCN(C2CS(=O)(=O)CC2O)C1.
What is the InChIKey of 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol?
The InChIKey is VLOYHVPGQLJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-8(2)9-3-4-12(5-9)10-6-16(14,15)7-11(10)13/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol?
1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol has a molecular weight of 247.36 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol is sourced from PubChem (CID 115688453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).