methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate

C10H18F3NO4S — CID 83059110

IUPACmethyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-3-14(7-5-9(15)18-2)19(16,17)8-4-6-10(11,12)13/h3-8H2,1-2H3
InChIKeyIXJUHKPAYXRANZ-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.54
Rot. Bonds8

About methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate

methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate (PubChem CID 83059110) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
PubChem CID83059110
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Namemethyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-3-14(7-5-9(15)18-2)19(16,17)8-4-6-10(11,12)13/h3-8H2,1-2H3
InChIKeyIXJUHKPAYXRANZ-UHFFFAOYSA-N
XLogP1.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Perfluorobutanesulfonamido betaine carboxylate
CID 138394450
2-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 54876265
Methyl 3-[3-chloropropylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54877283
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
Methyl 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 54952486
Methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011178
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
Methyl 3-[difluoromethylsulfonyl(ethyl)amino]propanoate
CID 55029001
4-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60951440
3-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951576
3-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951585
2-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60951737

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate (CID 83059110) is methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate?
The InChIKey is IXJUHKPAYXRANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-3-14(7-5-9(15)18-2)19(16,17)8-4-6-10(11,12)13/h3-8H2,1-2H3.
What are the key properties of methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate?
methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate has a molecular weight of 305.32 g/mol, XLogP of 1.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate is sourced from PubChem (CID 83059110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).