methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate

C10H18F3NO4S — CID 83060001

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

About methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate

methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate (PubChem CID 83060001) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate
PubChem CID83060001
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Namemethyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-14(7-3-5-9(15)18-2)19(16,17)8-4-6-10(11,12)13/h3-8H2,1-2H3
InChIKeyMZJGWOJUBJGKAS-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

Analyze methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate (CID 83060001) is methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate?
The InChIKey is MZJGWOJUBJGKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-14(7-3-5-9(15)18-2)19(16,17)8-4-6-10(11,12)13/h3-8H2,1-2H3.
What are the key properties of methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate?
methyl 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate 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 4-[methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoate is sourced from PubChem (CID 83060001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).