N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide

C11H23F3N2O2S — CID 106116361

IUPACN-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-2-4-10(5-7-15)9-16-19(17,18)8-3-6-11(12,13)14/h10,16H,2-9,15H2,1H3
InChIKeyMTMUQUIEOVMVMS-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.01
Rot. Bonds10

About N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106116361) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106116361
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-2-4-10(5-7-15)9-16-19(17,18)8-3-6-11(12,13)14/h10,16H,2-9,15H2,1H3
InChIKeyMTMUQUIEOVMVMS-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
N-[6-amino-4-(2-aminoethyl)hexyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 90962469
5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
CID 91392136
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide
CID 142793501
N-butyl-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-sulfonamide
CID 143087531
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157
N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 156532369
N-[6-(2,2-difluorocyclopropyl)hexyl]ethanesulfonamide
CID 178258199
N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355499

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 106116361) is N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide is CCCC(CCN)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is MTMUQUIEOVMVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-2-4-10(5-7-15)9-16-19(17,18)8-3-6-11(12,13)14/h10,16H,2-9,15H2,1H3.
What are the key properties of N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106116361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).