N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide

C4H9F3N2O2S — CID 63731482

IUPACN-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(N)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-3(8)2-9-12(10,11)4(5,6)7/h3,9H,2,8H2,1H3
InChIKeyRRKJWGQRSOWIKL-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.23
Rot. Bonds3

About N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide

N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 63731482) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID63731482
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC NameN-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(N)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-3(8)2-9-12(10,11)4(5,6)7/h3,9H,2,8H2,1H3
InChIKeyRRKJWGQRSOWIKL-UHFFFAOYSA-N
XLogP-0.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide (CID 63731482) is N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide is CC(N)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is RRKJWGQRSOWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c1-3(8)2-9-12(10,11)4(5,6)7/h3,9H,2,8H2,1H3.
What are the key properties of N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 206.19 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 63731482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).