6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one

C14H18N2O5S — CID 110210650

IUPAC6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C14H18N2O5S/c1-8-4-11-12(21-14(17)15-11)5-13(8)22(18,19)16-6-9(2)20-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3,(H,15,17)
InChIKeyXFKKVNDETBWJHC-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.23
Rot. Bonds2

About 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one

6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one (PubChem CID 110210650) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one
PubChem CID110210650
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C14H18N2O5S/c1-8-4-11-12(21-14(17)15-11)5-13(8)22(18,19)16-6-9(2)20-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3,(H,15,17)
InChIKeyXFKKVNDETBWJHC-UHFFFAOYSA-N
XLogP1.23
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylpiperazin-1-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one
CID 100830319
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721
(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 103931355
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol
CID 104961479
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
CID 7177601
(2S,6S)-2,6-dimethyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 7510206
5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 7253846
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
CID 104961498

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one (CID 110210650) is 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one is Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one?
The InChIKey is XFKKVNDETBWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-8-4-11-12(21-14(17)15-11)5-13(8)22(18,19)16-6-9(2)20-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one?
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one has a molecular weight of 326.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110210650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).