N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide

C12H24F3NO2S — CID 18735755

IUPACN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C12H24F3NO2S/c1-5-8-16(9-6-11(2,3)4)19(17,18)10-7-12(13,14)15/h5-10H2,1-4H3
InChIKeyQLPLIHOFMKJDFW-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.42
Rot. Bonds7

About N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide

N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide (PubChem CID 18735755) has the molecular formula C12H24F3NO2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
PubChem CID18735755
Molecular FormulaC12H24F3NO2S
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC NameN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C12H24F3NO2S/c1-5-8-16(9-6-11(2,3)4)19(17,18)10-7-12(13,14)15/h5-10H2,1-4H3
InChIKeyQLPLIHOFMKJDFW-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide (CID 18735755) is N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide?
The InChIKey is QLPLIHOFMKJDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2S/c1-5-8-16(9-6-11(2,3)4)19(17,18)10-7-12(13,14)15/h5-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide?
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 18735755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).