2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide

C13H25NO2S2 — CID 134854946

IUPAC2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide
SMILESCC1(C)CCCC(C)(C)N1OC1SCCCS1=O
InChIInChI=1S/C13H25NO2S2/c1-12(2)7-5-8-13(3,4)14(12)16-11-17-9-6-10-18(11)15/h11H,5-10H2,1-4H3
InChIKeyRXBNXLCAMLPKHE-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.13
Rot. Bonds2

About 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide

2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide (PubChem CID 134854946) has the molecular formula C13H25NO2S2 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide
PubChem CID134854946
Molecular FormulaC13H25NO2S2
Molecular Weight291.48 g/mol
Exact Mass291.13
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide
SMILESCC1(C)CCCC(C)(C)N1OC1SCCCS1=O
InChIInChI=1S/C13H25NO2S2/c1-12(2)7-5-8-13(3,4)14(12)16-11-17-9-6-10-18(11)15/h11H,5-10H2,1-4H3
InChIKeyRXBNXLCAMLPKHE-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide (CID 134854946) is 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide is CC1(C)CCCC(C)(C)N1OC1SCCCS1=O.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide?
The InChIKey is RXBNXLCAMLPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S2/c1-12(2)7-5-8-13(3,4)14(12)16-11-17-9-6-10-18(11)15/h11H,5-10H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide?
2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide has a molecular weight of 291.48 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dithiane 1-oxide is sourced from PubChem (CID 134854946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).