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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Related Compounds

2-ethoxy-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyridine
CID 97348801
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-3-thiol
CID 88954919
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
CID 129004923
N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599468
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599660
2-[6-chloro-1-[(2R)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-2-methylpiperidin-4-yl]indazol-3-yl]acetic acid
CID 90274113
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62147056
2-[1-[(1S,6S)-2-[(6-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[4.1.0]heptan-5-yl]-6-methylindazol-3-yl]acetic acid
CID 90444721
3-(2,3-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 127890904

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).