3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C21H28N4O4S — CID 139005074

IUPAC3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC(CO)(Cc3ccccc3)C2)nc1
InChIInChI=1S/C21H28N4O4S/c1-24(2)30(28,29)18-9-10-19(22-14-18)23-20(27)25-12-6-11-21(15-25,16-26)13-17-7-4-3-5-8-17/h3-5,7-10,14,26H,6,11-13,15-16H2,1-2H3,(H,22,23,27)
InChIKeyRANDJXVXJQKTEP-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.18
Rot. Bonds6

About 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide

3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 139005074) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID139005074
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC(CO)(Cc3ccccc3)C2)nc1
InChIInChI=1S/C21H28N4O4S/c1-24(2)30(28,29)18-9-10-19(22-14-18)23-20(27)25-12-6-11-21(15-25,16-26)13-17-7-4-3-5-8-17/h3-5,7-10,14,26H,6,11-13,15-16H2,1-2H3,(H,22,23,27)
InChIKeyRANDJXVXJQKTEP-UHFFFAOYSA-N
XLogP2.18
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 139005074) is 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC(CO)(Cc3ccccc3)C2)nc1.
What is the InChIKey of 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is RANDJXVXJQKTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-24(2)30(28,29)18-9-10-19(22-14-18)23-20(27)25-12-6-11-21(15-25,16-26)13-17-7-4-3-5-8-17/h3-5,7-10,14,26H,6,11-13,15-16H2,1-2H3,(H,22,23,27).
What are the key properties of 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 139005074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).