3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide

C12H23NO3S — CID 103174996

IUPAC3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide
SMILESCCC1NC(C)CCC1OC1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO3S/c1-3-11-12(5-4-9(2)13-11)16-10-6-7-17(14,15)8-10/h9-13H,3-8H2,1-2H3
InChIKeyLIIKZLNSAJWJIT-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.11
Rot. Bonds3

About 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide

3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide (PubChem CID 103174996) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide
PubChem CID103174996
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide
SMILESCCC1NC(C)CCC1OC1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO3S/c1-3-11-12(5-4-9(2)13-11)16-10-6-7-17(14,15)8-10/h9-13H,3-8H2,1-2H3
InChIKeyLIIKZLNSAJWJIT-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911
2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine
CID 62336115
3-cyclohexyloxythiolane 1,1-dioxide
CID 4585423
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067
(3R)-3-propoxythiolane 1,1-dioxide
CID 51410713
2-ethyl-6-methyl-3-(oxan-4-ylmethoxy)piperidine
CID 103175011
3-(methoxymethyl)-5-methyl-1,4-thiazepane 1,1-dioxide
CID 107511171
(3S)-3-hexadecoxythiolane 1,1-dioxide
CID 98117286
5-ethyl-3-methylthiepane 1,1-dioxide
CID 137466910
[(3R)-1,1-dioxothiolan-3-yl] sulfate
CID 7058872
3,4-diethylthiane 1,1-dioxide
CID 89014095

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide?
The IUPAC name of 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide (CID 103174996) is 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide?
The canonical SMILES for 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide is CCC1NC(C)CCC1OC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide?
The InChIKey is LIIKZLNSAJWJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-3-11-12(5-4-9(2)13-11)16-10-6-7-17(14,15)8-10/h9-13H,3-8H2,1-2H3.
What are the key properties of 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide?
3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide has a molecular weight of 261.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylpiperidin-3-yl)oxythiolane 1,1-dioxide is sourced from PubChem (CID 103174996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).