2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine

C13H19N3O2S — CID 5268161

IUPAC2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(N2CCCC2)nc1)N1CCCC1
InChIInChI=1S/C13H19N3O2S/c17-19(18,16-9-3-4-10-16)12-5-6-13(14-11-12)15-7-1-2-8-15/h5-6,11H,1-4,7-10H2
InChIKeyWTBRXCYNVVQYIT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.47
Rot. Bonds3

About 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine

2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 5268161) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine
PubChem CID5268161
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(N2CCCC2)nc1)N1CCCC1
InChIInChI=1S/C13H19N3O2S/c17-19(18,16-9-3-4-10-16)12-5-6-13(14-11-12)15-7-1-2-8-15/h5-6,11H,1-4,7-10H2
InChIKeyWTBRXCYNVVQYIT-UHFFFAOYSA-N
XLogP1.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine (CID 5268161) is 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(N2CCCC2)nc1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is WTBRXCYNVVQYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-19(18,16-9-3-4-10-16)12-5-6-13(14-11-12)15-7-1-2-8-15/h5-6,11H,1-4,7-10H2.
What are the key properties of 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine?
2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 281.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 5268161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).