2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide

C14H22N2O4S — CID 114775875

IUPAC2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1OCC1CNCC(C)(C)O1
InChIInChI=1S/C14H22N2O4S/c1-14(2)10-16-8-11(20-14)9-19-12-6-4-5-7-13(12)21(17,18)15-3/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyLKCGZTUFZZRHHR-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.74
Rot. Bonds5

About 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide

2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide (PubChem CID 114775875) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide
PubChem CID114775875
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1OCC1CNCC(C)(C)O1
InChIInChI=1S/C14H22N2O4S/c1-14(2)10-16-8-11(20-14)9-19-12-6-4-5-7-13(12)21(17,18)15-3/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyLKCGZTUFZZRHHR-UHFFFAOYSA-N
XLogP0.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide (CID 114775875) is 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1OCC1CNCC(C)(C)O1.
What is the InChIKey of 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide?
The InChIKey is LKCGZTUFZZRHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2)10-16-8-11(20-14)9-19-12-6-4-5-7-13(12)21(17,18)15-3/h4-7,11,15-16H,8-10H2,1-3H3.
What are the key properties of 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide?
2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 114775875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).