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

C16H23N5O3S — CID 11960921

IUPAC2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C16H23N5O3S/c1-16(7-9-21(10-8-16)25(23,24)20(2)3)15-18-12-6-4-5-11(14(17)22)13(12)19-15/h4-6H,7-10H2,1-3H3,(H2,17,22)(H,18,19)
InChIKeyNFXMTMTZERSZCO-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.82
Rot. Bonds4

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

2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 11960921) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide
PubChem CID11960921
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C16H23N5O3S/c1-16(7-9-21(10-8-16)25(23,24)20(2)3)15-18-12-6-4-5-11(14(17)22)13(12)19-15/h4-6H,7-10H2,1-3H3,(H2,17,22)(H,18,19)
InChIKeyNFXMTMTZERSZCO-UHFFFAOYSA-N
XLogP0.82
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide (CID 11960921) is 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide is CN(C)S(=O)(=O)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is NFXMTMTZERSZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-16(7-9-21(10-8-16)25(23,24)20(2)3)15-18-12-6-4-5-11(14(17)22)13(12)19-15/h4-6H,7-10H2,1-3H3,(H2,17,22)(H,18,19).
What are the key properties of 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide?
2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).