N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

C9H19F3N2O2S — CID 83068462

IUPACN-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCC(CCN)N(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-8(4-6-13)14(2)17(15,16)7-3-5-9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyIFKIJLNQMIYQHN-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.33
Rot. Bonds7

About N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (PubChem CID 83068462) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
PubChem CID83068462
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC NameN-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCC(CCN)N(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-8(4-6-13)14(2)17(15,16)7-3-5-9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyIFKIJLNQMIYQHN-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride
CID 120875552
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanethioamide
CID 83059834
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
N-(3-bromopropyl)-4,4,4-trifluoro-N-propan-2-ylbutane-1-sulfonamide
CID 83058943
3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 83058533
N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058541
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-butan-2-yl-3-chloro-N-methylpropane-1-sulfonamide
CID 43654521
N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513345

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (CID 83068462) is N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is CC(CCN)N(C)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The InChIKey is IFKIJLNQMIYQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-8(4-6-13)14(2)17(15,16)7-3-5-9(10,11)12/h8H,3-7,13H2,1-2H3.
What are the key properties of N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83068462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).