4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride

C19H32Cl2N4O3S — CID 119882025

IUPAC4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride
SMILESCc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3CCCCN3)CC2)cc1.Cl.Cl
InChIInChI=1S/C19H30N4O3S.2ClH/c1-16-5-7-17(8-6-16)27(25,26)21-10-11-22-12-14-23(15-13-22)19(24)18-4-2-3-9-20-18;;/h5-8,18,20-21H,2-4,9-15H2,1H3;2*1H/t18-;;/m1../s1
InChIKeyQNYUBXMJZPTKMU-JPKZNVRTSA-N
MW467.46 g/mol
LogP1.40
Rot. Bonds6

About 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride

4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride (PubChem CID 119882025) has the molecular formula C19H32Cl2N4O3S and a molecular weight of 467.46 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride
PubChem CID119882025
Molecular FormulaC19H32Cl2N4O3S
Molecular Weight467.46 g/mol
Exact Mass466.16
IUPAC Name4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride
SMILESCc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3CCCCN3)CC2)cc1.Cl.Cl
InChIInChI=1S/C19H30N4O3S.2ClH/c1-16-5-7-17(8-6-16)27(25,26)21-10-11-22-12-14-23(15-13-22)19(24)18-4-2-3-9-20-18;;/h5-8,18,20-21H,2-4,9-15H2,1H3;2*1H/t18-;;/m1../s1
InChIKeyQNYUBXMJZPTKMU-JPKZNVRTSA-N
XLogP1.40
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120704399
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265303
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119832969
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119311727
(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103808975
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride (CID 119882025) is 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride is Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3CCCCN3)CC2)cc1.Cl.Cl.
What is the InChIKey of 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride?
The InChIKey is QNYUBXMJZPTKMU-JPKZNVRTSA-N. The full InChI is InChI=1S/C19H30N4O3S.2ClH/c1-16-5-7-17(8-6-16)27(25,26)21-10-11-22-12-14-23(15-13-22)19(24)18-4-2-3-9-20-18;;/h5-8,18,20-21H,2-4,9-15H2,1H3;2*1H/t18-;;/m1../s1.
What are the key properties of 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride?
4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride has a molecular weight of 467.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119882025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).