N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide

C8H17F3N2O2S — CID 83059418

IUPACN-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(N)CCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-7(12)3-5-13-16(14,15)6-2-4-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyISROCDQNWGWORR-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.99
Rot. Bonds7

About N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059418) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059418
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC NameN-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(N)CCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-7(12)3-5-13-16(14,15)6-2-4-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyISROCDQNWGWORR-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(4-aminopentyl)butane-1-sulfonamide
CID 106125942
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 83059566
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059418) is N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide is CC(N)CCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ISROCDQNWGWORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-7(12)3-5-13-16(14,15)6-2-4-8(9,10)11/h7,13H,2-6,12H2,1H3.
What are the key properties of N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 262.30 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).