N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide

C11H23F3N2O2S — CID 106251128

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-3-10(4-2,8-15)9-16-19(17,18)7-5-6-11(12,13)14/h16H,3-9,15H2,1-2H3
InChIKeyXICSZPQXLVTYFM-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.01
Rot. Bonds9

About N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106251128) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106251128
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-3-10(4-2,8-15)9-16-19(17,18)7-5-6-11(12,13)14/h16H,3-9,15H2,1-2H3
InChIKeyXICSZPQXLVTYFM-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

Analyze N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 87159674
5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
CID 91392136
N-(2-ethyl-2-methylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 164021219
N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057952
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058802
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059281
N-(4-amino-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059739
N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059873
N-[[1-(aminomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060159
N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83060160
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067790
N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide
CID 100744465

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 106251128) is N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide is CCC(CC)(CN)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XICSZPQXLVTYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-3-10(4-2,8-15)9-16-19(17,18)7-5-6-11(12,13)14/h16H,3-9,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[2-(aminomethyl)-2-ethylbutyl]-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-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106251128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).