4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride

C15H26ClN3O2S — CID 119929715

IUPAC4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC1CCNCC1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-12(18(2)11-13-7-9-17-10-8-13)14-3-5-15(6-4-14)21(16,19)20;/h3-6,12-13,17H,7-11H2,1-2H3,(H2,16,19,20);1H
InChIKeyTUILRXBOVHQUIR-UHFFFAOYSA-N
MW347.91 g/mol
LogP1.75
Rot. Bonds5

About 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride

4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119929715) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID119929715
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC1CCNCC1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-12(18(2)11-13-7-9-17-10-8-13)14-3-5-15(6-4-14)21(16,19)20;/h3-6,12-13,17H,7-11H2,1-2H3,(H2,16,19,20);1H
InChIKeyTUILRXBOVHQUIR-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride (CID 119929715) is 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride is CC(c1ccc(S(N)(=O)=O)cc1)N(C)CC1CCNCC1.Cl.
What is the InChIKey of 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is TUILRXBOVHQUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-12(18(2)11-13-7-9-17-10-8-13)14-3-5-15(6-4-14)21(16,19)20;/h3-6,12-13,17H,7-11H2,1-2H3,(H2,16,19,20);1H.
What are the key properties of 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride?
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119929715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).