2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C20H27N3O2S — CID 16888133

IUPAC2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C20H27N3O2S/c1-16-6-7-17(2)20(13-16)26(24,25)22-14-18-8-11-23(12-9-18)15-19-5-3-4-10-21-19/h3-7,10,13,18,22H,8-9,11-12,14-15H2,1-2H3
InChIKeyYCWIQOSIZYJQAG-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.89
Rot. Bonds6

About 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888133) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888133
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C20H27N3O2S/c1-16-6-7-17(2)20(13-16)26(24,25)22-14-18-8-11-23(12-9-18)15-19-5-3-4-10-21-19/h3-7,10,13,18,22H,8-9,11-12,14-15H2,1-2H3
InChIKeyYCWIQOSIZYJQAG-UHFFFAOYSA-N
XLogP2.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888154
4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888102
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121110017
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-[[(2R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 41184531

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888133) is 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is YCWIQOSIZYJQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-16-6-7-17(2)20(13-16)26(24,25)22-14-18-8-11-23(12-9-18)15-19-5-3-4-10-21-19/h3-7,10,13,18,22H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).