5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine

C13H20N2O3S — CID 84599573

IUPAC5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C)C2C)cn1
InChIInChI=1S/C13H20N2O3S/c1-4-18-13-6-5-12(9-14-13)19(16,17)15-8-7-10(2)11(15)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyCNIBIUFULXDPLU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.90
Rot. Bonds4

About 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine

5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine (PubChem CID 84599573) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine.

Molecular Properties

Compound Name5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine
PubChem CID84599573
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C)C2C)cn1
InChIInChI=1S/C13H20N2O3S/c1-4-18-13-6-5-12(9-14-13)19(16,17)15-8-7-10(2)11(15)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyCNIBIUFULXDPLU-UHFFFAOYSA-N
XLogP1.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine?
The IUPAC name of 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine (CID 84599573) is 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine.
What is the SMILES notation for 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine?
The canonical SMILES for 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine is CCOc1ccc(S(=O)(=O)N2CCC(C)C2C)cn1.
What is the InChIKey of 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine?
The InChIKey is CNIBIUFULXDPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-18-13-6-5-12(9-14-13)19(16,17)15-8-7-10(2)11(15)3/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine?
5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine has a molecular weight of 284.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine is sourced from PubChem (CID 84599573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).