3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine

C15H17N3O2S — CID 166622070

IUPAC3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(Cc2cccnc2)C1
InChIInChI=1S/C15H17N3O2S/c19-21(20,15-4-2-7-17-11-15)18-8-5-14(12-18)9-13-3-1-6-16-10-13/h1-4,6-7,10-11,14H,5,8-9,12H2
InChIKeyNUDZZKVVYGEYGH-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.73
Rot. Bonds4

About 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine

3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine (PubChem CID 166622070) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
PubChem CID166622070
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(Cc2cccnc2)C1
InChIInChI=1S/C15H17N3O2S/c19-21(20,15-4-2-7-17-11-15)18-8-5-14(12-18)9-13-3-1-6-16-10-13/h1-4,6-7,10-11,14H,5,8-9,12H2
InChIKeyNUDZZKVVYGEYGH-UHFFFAOYSA-N
XLogP1.73
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
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4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 95845766
3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine
CID 45226112
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
3-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]sulfonylpyridine
CID 42522293
3-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]sulfonylpyridine
CID 45231607
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine?
The IUPAC name of 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine (CID 166622070) is 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine.
What is the SMILES notation for 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine?
The canonical SMILES for 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine is O=S(=O)(c1cccnc1)N1CCC(Cc2cccnc2)C1.
What is the InChIKey of 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine?
The InChIKey is NUDZZKVVYGEYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-21(20,15-4-2-7-17-11-15)18-8-5-14(12-18)9-13-3-1-6-16-10-13/h1-4,6-7,10-11,14H,5,8-9,12H2.
What are the key properties of 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine?
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine has a molecular weight of 303.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine is sourced from PubChem (CID 166622070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).