N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide

C11H23F3N2O2S — CID 83068315

IUPACN-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
SMILESCC(C)CN(CCCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-10(2)9-16(7-4-6-15)19(17,18)8-3-5-11(12,13)14/h10H,3-9,15H2,1-2H3
InChIKeyDJCHVSRVEMMHRS-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.97
Rot. Bonds9

About N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide

N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide (PubChem CID 83068315) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
PubChem CID83068315
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
SMILESCC(C)CN(CCCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-10(2)9-16(7-4-6-15)19(17,18)8-3-5-11(12,13)14/h10H,3-9,15H2,1-2H3
InChIKeyDJCHVSRVEMMHRS-UHFFFAOYSA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide (CID 83068315) is N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide is CC(C)CN(CCCN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The InChIKey is DJCHVSRVEMMHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-10(2)9-16(7-4-6-15)19(17,18)8-3-5-11(12,13)14/h10H,3-9,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 83068315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).