N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide

C6H13F3N2O2S — CID 65193226

IUPACN-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCCCC(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-2-3-5(4-10)11-14(12,13)6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyGXICWNIZKZICCO-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.55
Rot. Bonds5

About N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide

N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 65193226) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID65193226
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC NameN-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCCCC(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-2-3-5(4-10)11-14(12,13)6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyGXICWNIZKZICCO-UHFFFAOYSA-N
XLogP0.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 65193226) is N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide is CCCC(CN)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GXICWNIZKZICCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-2-3-5(4-10)11-14(12,13)6(7,8)9/h5,11H,2-4,10H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 65193226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).