(E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide

C8H16N2O2S — CID 157020624

IUPAC(E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide
SMILESCCN1CCC[C@@H]1/C=C/S(N)(=O)=O
InChIInChI=1S/C8H16N2O2S/c1-2-10-6-3-4-8(10)5-7-13(9,11)12/h5,7-8H,2-4,6H2,1H3,(H2,9,11,12)/b7-5+/t8-/m1/s1
InChIKeyKDFOYLKQSXODDB-WVXIBAHESA-N
MW204.29 g/mol
LogP0.27
Rot. Bonds3

About (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide

(E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide (PubChem CID 157020624) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide
PubChem CID157020624
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name(E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide
SMILESCCN1CCC[C@@H]1/C=C/S(N)(=O)=O
InChIInChI=1S/C8H16N2O2S/c1-2-10-6-3-4-8(10)5-7-13(9,11)12/h5,7-8H,2-4,6H2,1H3,(H2,9,11,12)/b7-5+/t8-/m1/s1
InChIKeyKDFOYLKQSXODDB-WVXIBAHESA-N
XLogP0.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide?
The IUPAC name of (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide (CID 157020624) is (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide is CCN1CCC[C@@H]1/C=C/S(N)(=O)=O.
What is the InChIKey of (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide?
The InChIKey is KDFOYLKQSXODDB-WVXIBAHESA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-10-6-3-4-8(10)5-7-13(9,11)12/h5,7-8H,2-4,6H2,1H3,(H2,9,11,12)/b7-5+/t8-/m1/s1.
What are the key properties of (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide?
(E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide has a molecular weight of 204.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide is sourced from PubChem (CID 157020624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).