N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide

C14H19N5O3S — CID 146124527

IUPACN-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
SMILESCNS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H19N5O3S/c1-15-23(21,22)19-8-6-10(7-9-19)13(20)18-14-16-11-4-2-3-5-12(11)17-14/h2-5,10,15H,6-9H2,1H3,(H2,16,17,18,20)
InChIKeyNDVZMTBEKWAZJC-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.68
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide

N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide (PubChem CID 146124527) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
PubChem CID146124527
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
SMILESCNS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H19N5O3S/c1-15-23(21,22)19-8-6-10(7-9-19)13(20)18-14-16-11-4-2-3-5-12(11)17-14/h2-5,10,15H,6-9H2,1H3,(H2,16,17,18,20)
InChIKeyNDVZMTBEKWAZJC-UHFFFAOYSA-N
XLogP0.68
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27649274
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
N-(1H-benzimidazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38790029
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485
(3R)-N-(1H-benzimidazol-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40633944

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide (CID 146124527) is N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide is CNS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide?
The InChIKey is NDVZMTBEKWAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-15-23(21,22)19-8-6-10(7-9-19)13(20)18-14-16-11-4-2-3-5-12(11)17-14/h2-5,10,15H,6-9H2,1H3,(H2,16,17,18,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide?
N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide is sourced from PubChem (CID 146124527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).