3-ethylpyrrolidine-1-sulfonamide

C6H14N2O2S — CID 115688667

IUPAC3-ethylpyrrolidine-1-sulfonamide
SMILESCCC1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-2-6-3-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10)
InChIKeyHNTQBWULAMKMRX-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.08
Rot. Bonds2

About 3-ethylpyrrolidine-1-sulfonamide

3-ethylpyrrolidine-1-sulfonamide (PubChem CID 115688667) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 3-ethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethylpyrrolidine-1-sulfonamide
PubChem CID115688667
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name3-ethylpyrrolidine-1-sulfonamide
SMILESCCC1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-2-6-3-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10)
InChIKeyHNTQBWULAMKMRX-UHFFFAOYSA-N
XLogP-0.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-ethylpyrrolidine-1-sulfonamide (CID 115688667) is 3-ethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-ethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-ethylpyrrolidine-1-sulfonamide is CCC1CCN(S(N)(=O)=O)C1.
What is the InChIKey of 3-ethylpyrrolidine-1-sulfonamide?
The InChIKey is HNTQBWULAMKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-6-3-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10).
What are the key properties of 3-ethylpyrrolidine-1-sulfonamide?
3-ethylpyrrolidine-1-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 115688667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).