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

C8H16F3N3O2S — CID 107493918

IUPACN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESNCCN(CC(F)(F)F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)7-14(6-3-12)17(15,16)13-4-1-2-5-13/h1-7,12H2
InChIKeyPSBAAYDAUTUUCD-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.15
Rot. Bonds5

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

N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 107493918) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID107493918
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESNCCN(CC(F)(F)F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)7-14(6-3-12)17(15,16)13-4-1-2-5-13/h1-7,12H2
InChIKeyPSBAAYDAUTUUCD-UHFFFAOYSA-N
XLogP0.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.15
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)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 107493918) is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is NCCN(CC(F)(F)F)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is PSBAAYDAUTUUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)7-14(6-3-12)17(15,16)13-4-1-2-5-13/h1-7,12H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 275.30 g/mol, XLogP of 0.15, 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)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 107493918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).