2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium

C16H26N3O2S+ — CID 2118390

IUPAC2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
SMILESC[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1
InChIInChI=1S/C16H25N3O2S/c1-14-7-3-6-12-19(14)16-9-8-15(13-17-16)22(20,21)18-10-4-2-5-11-18/h8-9,13-14H,2-7,10-12H2,1H3/p+1/t14-/m1/s1
InChIKeyZDDAPVAXPISLEQ-CQSZACIVSA-O
MW324.47 g/mol
LogP2.05
Rot. Bonds3

About 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium

2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium (PubChem CID 2118390) has the molecular formula C16H26N3O2S+ and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
PubChem CID2118390
Molecular FormulaC16H26N3O2S+
Molecular Weight324.47 g/mol
Exact Mass324.17
IUPAC Name2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
SMILESC[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1
InChIInChI=1S/C16H25N3O2S/c1-14-7-3-6-12-19(14)16-9-8-15(13-17-16)22(20,21)18-10-4-2-5-11-18/h8-9,13-14H,2-7,10-12H2,1H3/p+1/t14-/m1/s1
InChIKeyZDDAPVAXPISLEQ-CQSZACIVSA-O
XLogP2.05
TPSA54.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 9196184
N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282597
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
CID 2450884
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol
CID 9282203
N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
CID 9453718
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
3-(2-methylpiperidin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 18584513
N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9311722

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium?
The IUPAC name of 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium (CID 2118390) is 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium.
What is the SMILES notation for 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium?
The canonical SMILES for 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium is C[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1.
What is the InChIKey of 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium?
The InChIKey is ZDDAPVAXPISLEQ-CQSZACIVSA-O. The full InChI is InChI=1S/C16H25N3O2S/c1-14-7-3-6-12-19(14)16-9-8-15(13-17-16)22(20,21)18-10-4-2-5-11-18/h8-9,13-14H,2-7,10-12H2,1H3/p+1/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium?
2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium has a molecular weight of 324.47 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium is sourced from PubChem (CID 2118390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).