1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride

C14H23ClN2O3S — CID 120998743

IUPAC1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-8-11(2)14(19-3)13(9-10)20(17,18)16-6-4-12(15)5-7-16;/h8-9,12H,4-7,15H2,1-3H3;1H
InChIKeyUMGVQCMLERQODE-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.85
Rot. Bonds3

About 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride

1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 120998743) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID120998743
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-8-11(2)14(19-3)13(9-10)20(17,18)16-6-4-12(15)5-7-16;/h8-9,12H,4-7,15H2,1-3H3;1H
InChIKeyUMGVQCMLERQODE-UHFFFAOYSA-N
XLogP1.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
CID 110758344
4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
CID 110758314
1-[4-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817376
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598
1-(5-bromo-2,4-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959404
1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959410
1-(3-tert-butyl-2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 110758574
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120705953
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 120998743) is 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride is COc1c(C)cc(C)cc1S(=O)(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is UMGVQCMLERQODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-10-8-11(2)14(19-3)13(9-10)20(17,18)16-6-4-12(15)5-7-16;/h8-9,12H,4-7,15H2,1-3H3;1H.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120998743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).