methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate

C8H13F3N2O5S — CID 114811644

IUPACmethyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O5S/c1-17-7(14)6-4-18-3-2-13(6)19(15,16)12-5-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyPYKCSQPJCOKVDX-UHFFFAOYSA-N
MW306.26 g/mol
LogP-0.74
Rot. Bonds4

About methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate

methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate (PubChem CID 114811644) has the molecular formula C8H13F3N2O5S and a molecular weight of 306.26 g/mol. Its IUPAC name is methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate
PubChem CID114811644
Molecular FormulaC8H13F3N2O5S
Molecular Weight306.26 g/mol
Exact Mass306.05
IUPAC Namemethyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O5S/c1-17-7(14)6-4-18-3-2-13(6)19(15,16)12-5-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyPYKCSQPJCOKVDX-UHFFFAOYSA-N
XLogP-0.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate
CID 115672140
methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate
CID 115672123
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343407
methyl 4-(5-bromo-2-methylphenyl)sulfonylmorpholine-3-carboxylate
CID 115672139
methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate
CID 115672109
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
3-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 102776359

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate (CID 114811644) is methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate?
The InChIKey is PYKCSQPJCOKVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O5S/c1-17-7(14)6-4-18-3-2-13(6)19(15,16)12-5-8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate?
methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate has a molecular weight of 306.26 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate is sourced from PubChem (CID 114811644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).