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

C8H17F2N3O2S — CID 107493831

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17F2N3O2S/c9-8(10)7-13(6-3-11)16(14,15)12-4-1-2-5-12/h8H,1-7,11H2
InChIKeyQEPPLYLTNMXWFW-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.15
Rot. Bonds6

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

N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 107493831) has the molecular formula C8H17F2N3O2S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID107493831
Molecular FormulaC8H17F2N3O2S
Molecular Weight257.31 g/mol
Exact Mass257.10
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17F2N3O2S/c9-8(10)7-13(6-3-11)16(14,15)12-4-1-2-5-12/h8H,1-7,11H2
InChIKeyQEPPLYLTNMXWFW-UHFFFAOYSA-N
XLogP-0.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide
CID 164631280
3-Fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine
CID 68850143
2,2-difluoro-N-methylpyrrolidine-1-sulfonamide
CID 154292988
3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide
CID 155056242
1,1,1-trifluoro-N-[2-(1-propylpyrrolidin-1-ium-1-yl)ethyl]methanesulfonamide
CID 169983348
N-[2-(1-propylpyrrolidin-1-ium-1-yl)ethyl]sulfamoyl fluoride
CID 169983700
2-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 84803316
3-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-amine
CID 84806755
3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine
CID 84810696
2-Pyrrolidin-3-yl-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 84814054
(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
CID 104978131
(3S)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
CID 104978137

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide (CID 107493831) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide is NCCN(CC(F)F)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is QEPPLYLTNMXWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2S/c9-8(10)7-13(6-3-11)16(14,15)12-4-1-2-5-12/h8H,1-7,11H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.15, 6 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-difluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 107493831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).