N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide

C11H23F3N2O2S — CID 106286679

IUPACN-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)C(N)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-3-9(4-2)10(15)8-16-19(17,18)7-5-6-11(12,13)14/h9-10,16H,3-8,15H2,1-2H3
InChIKeyLHXNKUGDSSXFDT-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.01
Rot. Bonds9

About N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106286679) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106286679
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)C(N)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-3-9(4-2)10(15)8-16-19(17,18)7-5-6-11(12,13)14/h9-10,16H,3-8,15H2,1-2H3
InChIKeyLHXNKUGDSSXFDT-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 71467027
3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 123840797
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
CID 137470800
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355499
N-[3-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355500
N-[2-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355849
N-[2-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355850
N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61356176

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106286679) is N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(CC)C(N)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is LHXNKUGDSSXFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-3-9(4-2)10(15)8-16-19(17,18)7-5-6-11(12,13)14/h9-10,16H,3-8,15H2,1-2H3.
What are the key properties of N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106286679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).