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

C10H19NO3S — CID 22770176

IUPAC3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide
SMILESCC1CN(C2CCS(=O)(=O)C2)CC(C)O1
InChIInChI=1S/C10H19NO3S/c1-8-5-11(6-9(2)14-8)10-3-4-15(12,13)7-10/h8-10H,3-7H2,1-2H3
InChIKeyPTLHPXYPBIGTAY-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.28
Rot. Bonds1

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

3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide (PubChem CID 22770176) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide
PubChem CID22770176
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide
SMILESCC1CN(C2CCS(=O)(=O)C2)CC(C)O1
InChIInChI=1S/C10H19NO3S/c1-8-5-11(6-9(2)14-8)10-3-4-15(12,13)7-10/h8-10H,3-7H2,1-2H3
InChIKeyPTLHPXYPBIGTAY-UHFFFAOYSA-N
XLogP0.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide (CID 22770176) is 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide is CC1CN(C2CCS(=O)(=O)C2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide?
The InChIKey is PTLHPXYPBIGTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8-5-11(6-9(2)14-8)10-3-4-15(12,13)7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide?
3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide has a molecular weight of 233.33 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 22770176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).