2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine

C19H26N4O2S — CID 113015482

IUPAC2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C19H26N4O2S/c1-22(2)26(24,25)21-18-8-9-19(20-15-18)23-12-10-17(11-13-23)14-16-6-4-3-5-7-16/h3-9,15,17,21H,10-14H2,1-2H3
InChIKeyIXUDOWSTDWMREM-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.76
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine

2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine (PubChem CID 113015482) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
PubChem CID113015482
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C19H26N4O2S/c1-22(2)26(24,25)21-18-8-9-19(20-15-18)23-12-10-17(11-13-23)14-16-6-4-3-5-7-16/h3-9,15,17,21H,10-14H2,1-2H3
InChIKeyIXUDOWSTDWMREM-UHFFFAOYSA-N
XLogP2.76
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 112985417
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
CID 113015446
2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 113013165
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112900775
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109288490
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine (CID 113015482) is 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine is CN(C)S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine?
The InChIKey is IXUDOWSTDWMREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-22(2)26(24,25)21-18-8-9-19(20-15-18)23-12-10-17(11-13-23)14-16-6-4-3-5-7-16/h3-9,15,17,21H,10-14H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine?
2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine has a molecular weight of 374.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine is sourced from PubChem (CID 113015482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).