N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride

C9H17ClN4O2S — CID 120726672

IUPACN-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)c1cnc[nH]1.Cl
InChIInChI=1S/C9H16N4O2S.ClH/c1-7-8(3-2-4-11-7)13-16(14,15)9-5-10-6-12-9;/h5-8,11,13H,2-4H2,1H3,(H,10,12);1H
InChIKeyLBCXTYPJHUGGHJ-UHFFFAOYSA-N
MW280.78 g/mol
LogP0.25
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride

N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride (PubChem CID 120726672) has the molecular formula C9H17ClN4O2S and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
PubChem CID120726672
Molecular FormulaC9H17ClN4O2S
Molecular Weight280.78 g/mol
Exact Mass280.08
IUPAC NameN-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)c1cnc[nH]1.Cl
InChIInChI=1S/C9H16N4O2S.ClH/c1-7-8(3-2-4-11-7)13-16(14,15)9-5-10-6-12-9;/h5-8,11,13H,2-4H2,1H3,(H,10,12);1H
InChIKeyLBCXTYPJHUGGHJ-UHFFFAOYSA-N
XLogP0.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclopentyl)-1H-imidazole-5-sulfonamide
CID 64923633
3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide
CID 120876611
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide
CID 114295890
dimethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]benzene-1,4-dicarboxylate;hydrochloride
CID 120726589
N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 120726819
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 79872664
N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 82735588
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride (CID 120726672) is N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride is CC1NCCCC1NS(=O)(=O)c1cnc[nH]1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride?
The InChIKey is LBCXTYPJHUGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S.ClH/c1-7-8(3-2-4-11-7)13-16(14,15)9-5-10-6-12-9;/h5-8,11,13H,2-4H2,1H3,(H,10,12);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride has a molecular weight of 280.78 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120726672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).