methyl methanesulfonate;2-morpholin-4-ylchromen-4-one

C15H19NO6S — CID 91025278

IUPACmethyl methanesulfonate;2-morpholin-4-ylchromen-4-one
SMILESCOS(C)(=O)=O.O=c1cc(N2CCOCC2)oc2ccccc12
InChIInChI=1S/C13H13NO3.C2H6O3S/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12;1-5-6(2,3)4/h1-4,9H,5-8H2;1-2H3
InChIKeyYXGLPJYDEHBCJF-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.22
Rot. Bonds2

About methyl methanesulfonate;2-morpholin-4-ylchromen-4-one

methyl methanesulfonate;2-morpholin-4-ylchromen-4-one (PubChem CID 91025278) has the molecular formula C15H19NO6S and a molecular weight of 341.38 g/mol. Its IUPAC name is methyl methanesulfonate;2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Namemethyl methanesulfonate;2-morpholin-4-ylchromen-4-one
PubChem CID91025278
Molecular FormulaC15H19NO6S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Namemethyl methanesulfonate;2-morpholin-4-ylchromen-4-one
SMILESCOS(C)(=O)=O.O=c1cc(N2CCOCC2)oc2ccccc12
InChIInChI=1S/C13H13NO3.C2H6O3S/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12;1-5-6(2,3)4/h1-4,9H,5-8H2;1-2H3
InChIKeyYXGLPJYDEHBCJF-UHFFFAOYSA-N
XLogP1.22
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride
CID 175524833
6-(4-methoxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11522901
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione
CID 11676414
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
6-(furan-2-yl)-2-morpholin-4-ylchromen-4-one
CID 11536701
2-(1,4-oxazepan-4-yl)benzo[h]chromen-4-one
CID 11208656
8-methyl-2-morpholin-4-yl-7-phenylchromen-4-one
CID 21460270
7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one
CID 11675561
2-morpholin-4-ylbenzo[h]chromene-4-thione;2-morpholin-4-ylbenzo[h]chromen-4-one
CID 143744356
6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one
CID 135052964

Frequently Asked Questions

What is the IUPAC name of methyl methanesulfonate;2-morpholin-4-ylchromen-4-one?
The IUPAC name of methyl methanesulfonate;2-morpholin-4-ylchromen-4-one (CID 91025278) is methyl methanesulfonate;2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for methyl methanesulfonate;2-morpholin-4-ylchromen-4-one?
The canonical SMILES for methyl methanesulfonate;2-morpholin-4-ylchromen-4-one is COS(C)(=O)=O.O=c1cc(N2CCOCC2)oc2ccccc12.
What is the InChIKey of methyl methanesulfonate;2-morpholin-4-ylchromen-4-one?
The InChIKey is YXGLPJYDEHBCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3.C2H6O3S/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12;1-5-6(2,3)4/h1-4,9H,5-8H2;1-2H3.
What are the key properties of methyl methanesulfonate;2-morpholin-4-ylchromen-4-one?
methyl methanesulfonate;2-morpholin-4-ylchromen-4-one has a molecular weight of 341.38 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl methanesulfonate;2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 91025278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).