2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine

C16H22N4O2S — CID 136589362

IUPAC2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1CCc1ccccn1
InChIInChI=1S/C16H22N4O2S/c1-13-16(12-19(2)18-13)23(21,22)20-11-5-7-15(20)9-8-14-6-3-4-10-17-14/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3/t15-/m1/s1
InChIKeyULVKQRPLFUTMOU-OAHLLOKOSA-N
MW334.44 g/mol
LogP1.91
Rot. Bonds5

About 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine

2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine (PubChem CID 136589362) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine
PubChem CID136589362
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1CCc1ccccn1
InChIInChI=1S/C16H22N4O2S/c1-13-16(12-19(2)18-13)23(21,22)20-11-5-7-15(20)9-8-14-6-3-4-10-17-14/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3/t15-/m1/s1
InChIKeyULVKQRPLFUTMOU-OAHLLOKOSA-N
XLogP1.91
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine (CID 136589362) is 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine is Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1CCc1ccccn1.
What is the InChIKey of 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine?
The InChIKey is ULVKQRPLFUTMOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-13-16(12-19(2)18-13)23(21,22)20-11-5-7-15(20)9-8-14-6-3-4-10-17-14/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine?
2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine has a molecular weight of 334.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine is sourced from PubChem (CID 136589362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).