[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol

C11H21NO5S2 — CID 62086020

IUPAC[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C11H21NO5S2/c13-9-10-1-5-12(6-2-10)19(16,17)11-3-7-18(14,15)8-4-11/h10-11,13H,1-9H2
InChIKeyPUXZQOHRBPDJRA-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.40
Rot. Bonds3

About [1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol

[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol (PubChem CID 62086020) has the molecular formula C11H21NO5S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol
PubChem CID62086020
Molecular FormulaC11H21NO5S2
Molecular Weight311.43 g/mol
Exact Mass311.09
IUPAC Name[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C11H21NO5S2/c13-9-10-1-5-12(6-2-10)19(16,17)11-3-7-18(14,15)8-4-11/h10-11,13H,1-9H2
InChIKeyPUXZQOHRBPDJRA-UHFFFAOYSA-N
XLogP-0.40
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.40
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-4-yl]methanol?
The IUPAC name of [1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol (CID 62086020) is [1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol is O=S1(=O)CCC(S(=O)(=O)N2CCC(CO)CC2)CC1.
What is the InChIKey of [1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is PUXZQOHRBPDJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S2/c13-9-10-1-5-12(6-2-10)19(16,17)11-3-7-18(14,15)8-4-11/h10-11,13H,1-9H2.
What are the key properties of [1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol?
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 311.43 g/mol, XLogP of -0.40, 3 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-4-yl]methanol is sourced from PubChem (CID 62086020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).