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

C13H24N2O3S — CID 63170950

IUPAC1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCC(N3CCCCC3)C2)C1
InChIInChI=1S/C13H24N2O3S/c16-13-10-19(17,18)9-12(13)15-7-4-11(8-15)14-5-2-1-3-6-14/h11-13,16H,1-10H2
InChIKeyBMKVJGZJABCCHF-UHFFFAOYSA-N
MW288.41 g/mol
LogP-0.30
Rot. Bonds2

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

1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol (PubChem CID 63170950) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol
PubChem CID63170950
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CCC(N3CCCCC3)C2)C1
InChIInChI=1S/C13H24N2O3S/c16-13-10-19(17,18)9-12(13)15-7-4-11(8-15)14-5-2-1-3-6-14/h11-13,16H,1-10H2
InChIKeyBMKVJGZJABCCHF-UHFFFAOYSA-N
XLogP-0.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol (CID 63170950) is 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol is O=S1(=O)CC(O)C(N2CCC(N3CCCCC3)C2)C1.
What is the InChIKey of 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol?
The InChIKey is BMKVJGZJABCCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c16-13-10-19(17,18)9-12(13)15-7-4-11(8-15)14-5-2-1-3-6-14/h11-13,16H,1-10H2.
What are the key properties of 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol?
1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol has a molecular weight of 288.41 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol is sourced from PubChem (CID 63170950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).