5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid

C11H21F3N2O4S — CID 114806283

IUPAC5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid
SMILESCC(C)C(CCNS(=O)(=O)NCC(F)(F)F)CCC(=O)O
InChIInChI=1S/C11H21F3N2O4S/c1-8(2)9(3-4-10(17)18)5-6-15-21(19,20)16-7-11(12,13)14/h8-9,15-16H,3-7H2,1-2H3,(H,17,18)
InChIKeyYUTIIDRSDDZQDT-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.50
Rot. Bonds10

About 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid

5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid (PubChem CID 114806283) has the molecular formula C11H21F3N2O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid
PubChem CID114806283
Molecular FormulaC11H21F3N2O4S
Molecular Weight334.36 g/mol
Exact Mass334.12
IUPAC Name5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid
SMILESCC(C)C(CCNS(=O)(=O)NCC(F)(F)F)CCC(=O)O
InChIInChI=1S/C11H21F3N2O4S/c1-8(2)9(3-4-10(17)18)5-6-15-21(19,20)16-7-11(12,13)14/h8-9,15-16H,3-7H2,1-2H3,(H,17,18)
InChIKeyYUTIIDRSDDZQDT-UHFFFAOYSA-N
XLogP1.50
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 104977827
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806969
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
CID 65266918
methyl 6-(2,2,2-trifluoroethylsulfamoylamino)hexanoate
CID 114811435
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
3-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
4-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid
CID 114814632
2-methyl-6-(2,2,2-trifluoroethylsulfamoylamino)heptanoic acid
CID 114806412
3-methoxy-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 103153466
4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid?
The IUPAC name of 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid (CID 114806283) is 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid.
What is the SMILES notation for 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid?
The canonical SMILES for 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid is CC(C)C(CCNS(=O)(=O)NCC(F)(F)F)CCC(=O)O.
What is the InChIKey of 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid?
The InChIKey is YUTIIDRSDDZQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O4S/c1-8(2)9(3-4-10(17)18)5-6-15-21(19,20)16-7-11(12,13)14/h8-9,15-16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid?
5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid has a molecular weight of 334.36 g/mol, XLogP of 1.50, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid is sourced from PubChem (CID 114806283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).