2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine

C13H26N2O4S — CID 75448364

IUPAC2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCOC(C(C)C)C2)CC(C)O1
InChIInChI=1S/C13H26N2O4S/c1-10(2)13-9-14(5-6-18-13)20(16,17)15-7-11(3)19-12(4)8-15/h10-13H,5-9H2,1-4H3
InChIKeyNBQLCJOOTSPXOS-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.70
Rot. Bonds3

About 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine

2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine (PubChem CID 75448364) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine
PubChem CID75448364
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCOC(C(C)C)C2)CC(C)O1
InChIInChI=1S/C13H26N2O4S/c1-10(2)13-9-14(5-6-18-13)20(16,17)15-7-11(3)19-12(4)8-15/h10-13H,5-9H2,1-4H3
InChIKeyNBQLCJOOTSPXOS-UHFFFAOYSA-N
XLogP0.70
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine (CID 75448364) is 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine is CC1CN(S(=O)(=O)N2CCOC(C(C)C)C2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine?
The InChIKey is NBQLCJOOTSPXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-10(2)13-9-14(5-6-18-13)20(16,17)15-7-11(3)19-12(4)8-15/h10-13H,5-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine?
2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine has a molecular weight of 306.43 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-propan-2-ylmorpholin-4-yl)sulfonylmorpholine is sourced from PubChem (CID 75448364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).