4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol

C12H23NO4S — CID 114337919

IUPAC4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
SMILESCC(O)CC1CCCCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C12H23NO4S/c1-9(14)6-10-4-2-3-5-13(10)11-7-18(16,17)8-12(11)15/h9-12,14-15H,2-8H2,1H3
InChIKeyCPDISQHIIFQEOX-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.23
Rot. Bonds3

About 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol

4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol (PubChem CID 114337919) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
PubChem CID114337919
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
SMILESCC(O)CC1CCCCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C12H23NO4S/c1-9(14)6-10-4-2-3-5-13(10)11-7-18(16,17)8-12(11)15/h9-12,14-15H,2-8H2,1H3
InChIKeyCPDISQHIIFQEOX-UHFFFAOYSA-N
XLogP-0.23
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-hydroxypropyl)piperidin-1-yl]cyclopentan-1-ol
CID 114338292
methyl 2-[1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidin-2-yl]acetate
CID 62026194
4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 63855136
1-[1-(2-ethylcyclohexyl)azepan-2-yl]propan-2-ol
CID 114338744
1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol
CID 114337931
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[1-(3-methoxycyclohexyl)piperidin-2-yl]propan-2-ol
CID 114338065
4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol
CID 60968587
4-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carbaldehyde
CID 99976976
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol (CID 114337919) is 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol is CC(O)CC1CCCCN1C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The InChIKey is CPDISQHIIFQEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-9(14)6-10-4-2-3-5-13(10)11-7-18(16,17)8-12(11)15/h9-12,14-15H,2-8H2,1H3.
What are the key properties of 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol?
4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol has a molecular weight of 277.39 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 114337919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).