N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride

C15H26ClN3O2S — CID 120584167

IUPACN-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCC1CCCN(S(=O)(=O)N(CCN)Cc2ccccc2)C1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-14-6-5-10-17(12-14)21(19,20)18(11-9-16)13-15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13,16H2,1H3;1H
InChIKeyZPISFOMWZUUWPV-UHFFFAOYSA-N
MW347.91 g/mol
LogP1.85
Rot. Bonds6

About N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride

N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride (PubChem CID 120584167) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
PubChem CID120584167
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC NameN-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCC1CCCN(S(=O)(=O)N(CCN)Cc2ccccc2)C1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-14-6-5-10-17(12-14)21(19,20)18(11-9-16)13-15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13,16H2,1H3;1H
InChIKeyZPISFOMWZUUWPV-UHFFFAOYSA-N
XLogP1.85
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
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N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
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1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
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CID 61448219
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride (CID 120584167) is N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride is CC1CCCN(S(=O)(=O)N(CCN)Cc2ccccc2)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride?
The InChIKey is ZPISFOMWZUUWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-14-6-5-10-17(12-14)21(19,20)18(11-9-16)13-15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13,16H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride?
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120584167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).