3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide

C8H17F3N2O2S — CID 112689923

IUPAC3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide
SMILESCCCN(CCCS(N)(=O)=O)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-2-4-13(7-8(9,10)11)5-3-6-16(12,14)15/h2-7H2,1H3,(H2,12,14,15)
InChIKeyIMHVXSFRYXARLT-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.94
Rot. Bonds7

About 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide

3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide (PubChem CID 112689923) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide
PubChem CID112689923
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC Name3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide
SMILESCCCN(CCCS(N)(=O)=O)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-2-4-13(7-8(9,10)11)5-3-6-16(12,14)15/h2-7H2,1H3,(H2,12,14,15)
InChIKeyIMHVXSFRYXARLT-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
CID 106713942
2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 65259742
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 107488814
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 107488181
CID 175918224
CID 175918224
butane-1-sulfonamide;dihydrochloride
CID 140980497
4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine
CID 106799639
3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide
CID 112691055
pentacosane-1-sulfonamide
CID 149252389
1-[amino(sulfamoyl)amino]propane
CID 90113026
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692

Frequently Asked Questions

What is the IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide (CID 112689923) is 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide is CCCN(CCCS(N)(=O)=O)CC(F)(F)F.
What is the InChIKey of 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide?
The InChIKey is IMHVXSFRYXARLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-2-4-13(7-8(9,10)11)5-3-6-16(12,14)15/h2-7H2,1H3,(H2,12,14,15).
What are the key properties of 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide?
3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide has a molecular weight of 262.30 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide is sourced from PubChem (CID 112689923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).