2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide

C15H21N5O3S — CID 25190741

IUPAC2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C15H21N5O3S/c1-19(2)24(22,23)20-8-6-10(7-9-20)15-17-12-5-3-4-11(14(16)21)13(12)18-15/h3-5,10H,6-9H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyYKVNCVKRDCRGHE-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.65
Rot. Bonds4

About 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide

2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190741) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190741
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C15H21N5O3S/c1-19(2)24(22,23)20-8-6-10(7-9-20)15-17-12-5-3-4-11(14(16)21)13(12)18-15/h3-5,10H,6-9H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyYKVNCVKRDCRGHE-UHFFFAOYSA-N
XLogP0.65
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide (CID 25190741) is 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide is CN(C)S(=O)(=O)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is YKVNCVKRDCRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-19(2)24(22,23)20-8-6-10(7-9-20)15-17-12-5-3-4-11(14(16)21)13(12)18-15/h3-5,10H,6-9H2,1-2H3,(H2,16,21)(H,17,18).
What are the key properties of 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).