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

C14H22N2O3S — CID 119959644

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC(N)C2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-8-14(11(2)7-13(10)19-3)20(17,18)16-6-4-5-12(15)9-16/h7-8,12H,4-6,9,15H2,1-3H3
InChIKeyJGIXPMCPPBHYFG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.42
Rot. Bonds3

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

1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine (PubChem CID 119959644) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
PubChem CID119959644
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC(N)C2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-8-14(11(2)7-13(10)19-3)20(17,18)16-6-4-5-12(15)9-16/h7-8,12H,4-6,9,15H2,1-3H3
InChIKeyJGIXPMCPPBHYFG-UHFFFAOYSA-N
XLogP1.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 47958271
1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine
CID 120705993
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
5-(3-aminopiperidin-1-yl)sulfonyl-2,4-dimethylbenzoic acid
CID 61404039
1-(2-methoxy-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120998796
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900555

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine (CID 119959644) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine is COc1cc(C)c(S(=O)(=O)N2CCCC(N)C2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is JGIXPMCPPBHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-8-14(11(2)7-13(10)19-3)20(17,18)16-6-4-5-12(15)9-16/h7-8,12H,4-6,9,15H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine?
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine has a molecular weight of 298.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 119959644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).