1-(thian-3-yl)piperidin-3-ol

C10H19NOS — CID 83831950

IUPAC1-(thian-3-yl)piperidin-3-ol
SMILESOC1CCCN(C2CCCSC2)C1
InChIInChI=1S/C10H19NOS/c12-10-4-1-5-11(7-10)9-3-2-6-13-8-9/h9-10,12H,1-8H2
InChIKeyMBGGCVGOKRHRMF-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.34
Rot. Bonds1

About 1-(thian-3-yl)piperidin-3-ol

1-(thian-3-yl)piperidin-3-ol (PubChem CID 83831950) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(thian-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(thian-3-yl)piperidin-3-ol
PubChem CID83831950
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(thian-3-yl)piperidin-3-ol
SMILESOC1CCCN(C2CCCSC2)C1
InChIInChI=1S/C10H19NOS/c12-10-4-1-5-11(7-10)9-3-2-6-13-8-9/h9-10,12H,1-8H2
InChIKeyMBGGCVGOKRHRMF-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-3-yl)piperidin-3-ol?
The IUPAC name of 1-(thian-3-yl)piperidin-3-ol (CID 83831950) is 1-(thian-3-yl)piperidin-3-ol.
What is the SMILES notation for 1-(thian-3-yl)piperidin-3-ol?
The canonical SMILES for 1-(thian-3-yl)piperidin-3-ol is OC1CCCN(C2CCCSC2)C1.
What is the InChIKey of 1-(thian-3-yl)piperidin-3-ol?
The InChIKey is MBGGCVGOKRHRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10-4-1-5-11(7-10)9-3-2-6-13-8-9/h9-10,12H,1-8H2.
What are the key properties of 1-(thian-3-yl)piperidin-3-ol?
1-(thian-3-yl)piperidin-3-ol has a molecular weight of 201.33 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-3-yl)piperidin-3-ol is sourced from PubChem (CID 83831950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).