3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide

C12H23NO3S — CID 22770174

IUPAC3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide
SMILESCCC1CN(C2CCS(=O)(=O)C2)CC(CC)O1
InChIInChI=1S/C12H23NO3S/c1-3-11-7-13(8-12(4-2)16-11)10-5-6-17(14,15)9-10/h10-12H,3-9H2,1-2H3
InChIKeyBEKXQLBFJDHERW-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.06
Rot. Bonds3

About 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide

3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide (PubChem CID 22770174) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide
PubChem CID22770174
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide
SMILESCCC1CN(C2CCS(=O)(=O)C2)CC(CC)O1
InChIInChI=1S/C12H23NO3S/c1-3-11-7-13(8-12(4-2)16-11)10-5-6-17(14,15)9-10/h10-12H,3-9H2,1-2H3
InChIKeyBEKXQLBFJDHERW-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide (CID 22770174) is 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide is CCC1CN(C2CCS(=O)(=O)C2)CC(CC)O1.
What is the InChIKey of 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide?
The InChIKey is BEKXQLBFJDHERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-3-11-7-13(8-12(4-2)16-11)10-5-6-17(14,15)9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide?
3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide has a molecular weight of 261.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylmorpholin-4-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 22770174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).