N-ethylpyrrolidine-3-sulfonamide

C6H14N2O2S — CID 65419394

IUPACN-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-2-8-11(9,10)6-3-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyQGFAOVYTLNLVDJ-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.71
Rot. Bonds3

About N-ethylpyrrolidine-3-sulfonamide

N-ethylpyrrolidine-3-sulfonamide (PubChem CID 65419394) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-ethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethylpyrrolidine-3-sulfonamide
PubChem CID65419394
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-2-8-11(9,10)6-3-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyQGFAOVYTLNLVDJ-UHFFFAOYSA-N
XLogP-0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylpyrrolidine-3-sulfonamide?
The IUPAC name of N-ethylpyrrolidine-3-sulfonamide (CID 65419394) is N-ethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethylpyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethylpyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCNC1.
What is the InChIKey of N-ethylpyrrolidine-3-sulfonamide?
The InChIKey is QGFAOVYTLNLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-8-11(9,10)6-3-4-7-5-6/h6-8H,2-5H2,1H3.
What are the key properties of N-ethylpyrrolidine-3-sulfonamide?
N-ethylpyrrolidine-3-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 65419394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).