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

C14H18N2O5S — CID 110284519

IUPAC6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C(C)(C)CO1
InChIInChI=1S/C14H18N2O5S/c1-9-7-16(14(2,3)8-20-9)22(18,19)10-4-5-11-12(6-10)21-13(17)15-11/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyHCXOENYYVCMESX-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.31
Rot. Bonds2

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

6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one (PubChem CID 110284519) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one
PubChem CID110284519
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C(C)(C)CO1
InChIInChI=1S/C14H18N2O5S/c1-9-7-16(14(2,3)8-20-9)22(18,19)10-4-5-11-12(6-10)21-13(17)15-11/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyHCXOENYYVCMESX-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
6-(3-methylpiperidin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 20866159
3-(2,5,5-trimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 110421938
N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 112507547
N-[(3S,4R)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70715900
methyl-(3-methylbutyl)-[1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]azanium
CID 3701220
1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
CID 110624395
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522
6-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 110285970
6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 56900612
(3S)-N-(4-methylcyclohexyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92708441
6-(4-butanoylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110817332

Frequently Asked Questions

What is the IUPAC name of 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one (CID 110284519) is 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one is CC1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C(C)(C)CO1.
What is the InChIKey of 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one?
The InChIKey is HCXOENYYVCMESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-9-7-16(14(2,3)8-20-9)22(18,19)10-4-5-11-12(6-10)21-13(17)15-11/h4-6,9H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one?
6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one has a molecular weight of 326.37 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5,5-trimethylmorpholin-4-yl)sulfonyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110284519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).