(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol

C9H17NO3S — CID 107226058

IUPAC(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
SMILESO=S1(=O)CCC(N2CCC[C@H](O)C2)C1
InChIInChI=1S/C9H17NO3S/c11-9-2-1-4-10(6-9)8-3-5-14(12,13)7-8/h8-9,11H,1-7H2/t8?,9-/m0/s1
InChIKeyXLIKMZVQLFYOKT-GKAPJAKFSA-N
MW219.31 g/mol
LogP-0.37
Rot. Bonds1

About (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol

(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol (PubChem CID 107226058) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
PubChem CID107226058
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
SMILESO=S1(=O)CCC(N2CCC[C@H](O)C2)C1
InChIInChI=1S/C9H17NO3S/c11-9-2-1-4-10(6-9)8-3-5-14(12,13)7-8/h8-9,11H,1-7H2/t8?,9-/m0/s1
InChIKeyXLIKMZVQLFYOKT-GKAPJAKFSA-N
XLogP-0.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-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

1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 117008143
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
1-(thian-3-yl)piperidin-3-ol
CID 83831950
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
CID 115824911
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 55032348
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 94347275

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol (CID 107226058) is (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol is O=S1(=O)CCC(N2CCC[C@H](O)C2)C1.
What is the InChIKey of (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol?
The InChIKey is XLIKMZVQLFYOKT-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9-2-1-4-10(6-9)8-3-5-14(12,13)7-8/h8-9,11H,1-7H2/t8?,9-/m0/s1.
What are the key properties of (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol?
(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol has a molecular weight of 219.31 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol is sourced from PubChem (CID 107226058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).