N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide

C10H20F3N3O2S — CID 107493919

IUPACN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
SMILESNCCN(CC(F)(F)F)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)9-16(8-5-14)19(17,18)15-6-3-1-2-4-7-15/h1-9,14H2
InChIKeyCXQYHKRWMIDPDF-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.93
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide

N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide (PubChem CID 107493919) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
PubChem CID107493919
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
SMILESNCCN(CC(F)(F)F)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)9-16(8-5-14)19(17,18)15-6-3-1-2-4-7-15/h1-9,14H2
InChIKeyCXQYHKRWMIDPDF-UHFFFAOYSA-N
XLogP0.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide (CID 107493919) is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide is NCCN(CC(F)(F)F)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide?
The InChIKey is CXQYHKRWMIDPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)9-16(8-5-14)19(17,18)15-6-3-1-2-4-7-15/h1-9,14H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide?
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide is sourced from PubChem (CID 107493919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).