N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide

C17H24N4O2S — CID 163349592

IUPACN-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCN(C1CCN(c2nc3ccccc3n2C)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C17H24N4O2S/c1-19-16-6-4-3-5-15(16)18-17(19)21-11-9-13(10-12-21)20(2)24(22,23)14-7-8-14/h3-6,13-14H,7-12H2,1-2H3
InChIKeyJRTFGZVJDTXRLI-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.97
Rot. Bonds4

About N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide

N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 163349592) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
PubChem CID163349592
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
SMILESCN(C1CCN(c2nc3ccccc3n2C)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C17H24N4O2S/c1-19-16-6-4-3-5-15(16)18-17(19)21-11-9-13(10-12-21)20(2)24(22,23)14-7-8-14/h3-6,13-14H,7-12H2,1-2H3
InChIKeyJRTFGZVJDTXRLI-UHFFFAOYSA-N
XLogP1.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163349602
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
CID 125436765
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346286
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid
CID 151822810
N-cyclopentyl-2-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 171994814
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346285
1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714699
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide (CID 163349592) is N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide is CN(C1CCN(c2nc3ccccc3n2C)CC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is JRTFGZVJDTXRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-19-16-6-4-3-5-15(16)18-17(19)21-11-9-13(10-12-21)20(2)24(22,23)14-7-8-14/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide?
N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 163349592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).