1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol

C10H19NO5S2 — CID 55032348

IUPAC1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCC(O)C2)CC1
InChIInChI=1S/C10H19NO5S2/c12-9-2-1-5-11(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10,12H,1-8H2
InChIKeyTUCXPUJVEFNWLT-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.65
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol

1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol (PubChem CID 55032348) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
PubChem CID55032348
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC Name1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCC(O)C2)CC1
InChIInChI=1S/C10H19NO5S2/c12-9-2-1-5-11(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10,12H,1-8H2
InChIKeyTUCXPUJVEFNWLT-UHFFFAOYSA-N
XLogP-0.65
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol (CID 55032348) is 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol is O=S1(=O)CCC(S(=O)(=O)N2CCCC(O)C2)CC1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol?
The InChIKey is TUCXPUJVEFNWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c12-9-2-1-5-11(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10,12H,1-8H2.
What are the key properties of 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol?
1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol has a molecular weight of 297.40 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 55032348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).