2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium

C15H24N3O2S+ — CID 9196184

IUPAC2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
SMILESO=S(=O)(c1ccc(N2CCCCC2)[nH+]c1)N1CCCCC1
InChIInChI=1S/C15H23N3O2S/c19-21(20,18-11-5-2-6-12-18)14-7-8-15(16-13-14)17-9-3-1-4-10-17/h7-8,13H,1-6,9-12H2/p+1
InChIKeyPTWNLQZBSRKPCS-UHFFFAOYSA-O
MW310.44 g/mol
LogP1.67
Rot. Bonds3

About 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium

2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium (PubChem CID 9196184) has the molecular formula C15H24N3O2S+ and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium.

Molecular Properties

Compound Name2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
PubChem CID9196184
Molecular FormulaC15H24N3O2S+
Molecular Weight310.44 g/mol
Exact Mass310.16
IUPAC Name2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
SMILESO=S(=O)(c1ccc(N2CCCCC2)[nH+]c1)N1CCCCC1
InChIInChI=1S/C15H23N3O2S/c19-21(20,18-11-5-2-6-12-18)14-7-8-15(16-13-14)17-9-3-1-4-10-17/h7-8,13H,1-6,9-12H2/p+1
InChIKeyPTWNLQZBSRKPCS-UHFFFAOYSA-O
XLogP1.67
TPSA54.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
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CID 2450884
2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol
CID 9282203
2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 2118390
1-[(E)-3-phenylprop-2-enyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium
CID 9310868
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282597
6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide
CID 2122276
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium?
The IUPAC name of 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium (CID 9196184) is 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium.
What is the SMILES notation for 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium?
The canonical SMILES for 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium is O=S(=O)(c1ccc(N2CCCCC2)[nH+]c1)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium?
The InChIKey is PTWNLQZBSRKPCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O2S/c19-21(20,18-11-5-2-6-12-18)14-7-8-15(16-13-14)17-9-3-1-4-10-17/h7-8,13H,1-6,9-12H2/p+1.
What are the key properties of 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium?
2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium has a molecular weight of 310.44 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium is sourced from PubChem (CID 9196184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).