methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate

C5H9F3N2O4S — CID 114811439

IUPACmethyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O4S/c1-14-4(11)2-9-15(12,13)10-3-5(6,7)8/h9-10H,2-3H2,1H3
InChIKeyPBOWKTUDKWNSNP-UHFFFAOYSA-N
MW250.20 g/mol
LogP-0.85
Rot. Bonds5

About methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate

methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate (PubChem CID 114811439) has the molecular formula C5H9F3N2O4S and a molecular weight of 250.20 g/mol. Its IUPAC name is methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
PubChem CID114811439
Molecular FormulaC5H9F3N2O4S
Molecular Weight250.20 g/mol
Exact Mass250.02
IUPAC Namemethyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O4S/c1-14-4(11)2-9-15(12,13)10-3-5(6,7)8/h9-10H,2-3H2,1H3
InChIKeyPBOWKTUDKWNSNP-UHFFFAOYSA-N
XLogP-0.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(2,2,2-trifluoroethylsulfamoylamino)hexanoate
CID 114811435
2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807656
5-methoxy-5-oxo-2-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806989
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
3-methoxy-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 103153466
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
N-(2,2,2-trifluoroethylsulfamoyl)prop-2-yn-1-amine
CID 114812561
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate
CID 10016675
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate?
The IUPAC name of methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate (CID 114811439) is methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate.
What is the SMILES notation for methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate?
The canonical SMILES for methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate is COC(=O)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate?
The InChIKey is PBOWKTUDKWNSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O4S/c1-14-4(11)2-9-15(12,13)10-3-5(6,7)8/h9-10H,2-3H2,1H3.
What are the key properties of methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate?
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate has a molecular weight of 250.20 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate is sourced from PubChem (CID 114811439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).