5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride

C15H26ClN3O2S — CID 119969443

IUPAC5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCCC2CN)cc1N(C)C.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-12-7-8-14(10-15(12)17(2)3)21(19,20)18-9-5-4-6-13(18)11-16;/h7-8,10,13H,4-6,9,11,16H2,1-3H3;1H
InChIKeyQBMJCURIWPZUOP-UHFFFAOYSA-N
MW347.91 g/mol
LogP1.98
Rot. Bonds4

About 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride

5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride (PubChem CID 119969443) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
PubChem CID119969443
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCCC2CN)cc1N(C)C.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-12-7-8-14(10-15(12)17(2)3)21(19,20)18-9-5-4-6-13(18)11-16;/h7-8,10,13H,4-6,9,11,16H2,1-3H3;1H
InChIKeyQBMJCURIWPZUOP-UHFFFAOYSA-N
XLogP1.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119965410
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
CID 119965411
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120707986
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 119969518
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride?
The IUPAC name of 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride (CID 119969443) is 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride.
What is the SMILES notation for 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride?
The canonical SMILES for 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCCC2CN)cc1N(C)C.Cl.
What is the InChIKey of 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride?
The InChIKey is QBMJCURIWPZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-12-7-8-14(10-15(12)17(2)3)21(19,20)18-9-5-4-6-13(18)11-16;/h7-8,10,13H,4-6,9,11,16H2,1-3H3;1H.
What are the key properties of 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride?
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride is sourced from PubChem (CID 119969443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).