3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide

C8H19N3O2S — CID 114813055

IUPAC3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(CCN)C1
InChIInChI=1S/C8H19N3O2S/c1-2-10-14(12,13)11-6-4-8(7-11)3-5-9/h8,10H,2-7,9H2,1H3
InChIKeyZOIPIJANAUZTMX-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.49
Rot. Bonds5

About 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide

3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide (PubChem CID 114813055) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide
PubChem CID114813055
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(CCN)C1
InChIInChI=1S/C8H19N3O2S/c1-2-10-14(12,13)11-6-4-8(7-11)3-5-9/h8,10H,2-7,9H2,1H3
InChIKeyZOIPIJANAUZTMX-UHFFFAOYSA-N
XLogP-0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide (CID 114813055) is 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide?
The InChIKey is ZOIPIJANAUZTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-2-10-14(12,13)11-6-4-8(7-11)3-5-9/h8,10H,2-7,9H2,1H3.
What are the key properties of 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide?
3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 114813055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).