3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one

C13H16N2O5S — CID 110292469

IUPAC3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CCO1
InChIInChI=1S/C13H16N2O5S/c1-9-8-15(5-6-19-9)21(17,18)10-3-4-11-12(7-10)20-13(16)14(11)2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyZVOHRHSADSATDB-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.54
Rot. Bonds2

About 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one

3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one (PubChem CID 110292469) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
PubChem CID110292469
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CCO1
InChIInChI=1S/C13H16N2O5S/c1-9-8-15(5-6-19-9)21(17,18)10-3-4-11-12(7-10)20-13(16)14(11)2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyZVOHRHSADSATDB-UHFFFAOYSA-N
XLogP0.54
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-[(3S)-3-methylpiperazin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 104976592
6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 79411361
6-(3-hydroxyazetidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 55178205
6-(4-aminopiperidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 43556311
3-methyl-6-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110602902
3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 71806101
6-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 110290439
3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 40503494
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
3-methyl-6-(3-phenoxypiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110605467

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one (CID 110292469) is 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one is CC1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CCO1.
What is the InChIKey of 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one?
The InChIKey is ZVOHRHSADSATDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-9-8-15(5-6-19-9)21(17,18)10-3-4-11-12(7-10)20-13(16)14(11)2/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one?
3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 312.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 110292469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).