[1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride

C16H24ClN5O3S — CID 119969299

IUPAC[1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.Cn1ncnc1COc1ccc(S(=O)(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C16H23N5O3S.ClH/c1-20-16(18-12-19-20)11-24-14-5-7-15(8-6-14)25(22,23)21-9-3-2-4-13(21)10-17;/h5-8,12-13H,2-4,9-11,17H2,1H3;1H
InChIKeyZZOJUEAWRYRWRG-UHFFFAOYSA-N
MW401.92 g/mol
LogP1.32
Rot. Bonds6

About [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride

[1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119969299) has the molecular formula C16H24ClN5O3S and a molecular weight of 401.92 g/mol. Its IUPAC name is [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119969299
Molecular FormulaC16H24ClN5O3S
Molecular Weight401.92 g/mol
Exact Mass401.13
IUPAC Name[1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.Cn1ncnc1COc1ccc(S(=O)(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C16H23N5O3S.ClH/c1-20-16(18-12-19-20)11-24-14-5-7-15(8-6-14)25(22,23)21-9-3-2-4-13(21)10-17;/h5-8,12-13H,2-4,9-11,17H2,1H3;1H
InChIKeyZZOJUEAWRYRWRG-UHFFFAOYSA-N
XLogP1.32
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

(1S)-1-[(2S)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]ethanamine
CID 124691051
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride
CID 119916298
4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120707986
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 119969518
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284421
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride (CID 119969299) is [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride is Cl.Cn1ncnc1COc1ccc(S(=O)(=O)N2CCCCC2CN)cc1.
What is the InChIKey of [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is ZZOJUEAWRYRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S.ClH/c1-20-16(18-12-19-20)11-24-14-5-7-15(8-6-14)25(22,23)21-9-3-2-4-13(21)10-17;/h5-8,12-13H,2-4,9-11,17H2,1H3;1H.
What are the key properties of [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride?
[1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 401.92 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).