1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine

C14H22N2O3S — CID 120705993

IUPAC1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C14H22N2O3S/c1-10-7-11(2)14(13(8-10)19-3)20(17,18)16-6-4-5-12(15)9-16/h7-8,12H,4-6,9,15H2,1-3H3
InChIKeyWOMJXYZNPOGYFH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine

1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine (PubChem CID 120705993) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine
PubChem CID120705993
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C14H22N2O3S/c1-10-7-11(2)14(13(8-10)19-3)20(17,18)16-6-4-5-12(15)9-16/h7-8,12H,4-6,9,15H2,1-3H3
InChIKeyWOMJXYZNPOGYFH-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

Analyze 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(2,6-dimethyl-4-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959462
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
(3S,4S)-1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxamide
CID 128977173
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598
ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818639
1-(2-methoxy-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120998796
ethyl (3S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxylate
CID 7299644

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine (CID 120705993) is 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine is COc1cc(C)cc(C)c1S(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is WOMJXYZNPOGYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-7-11(2)14(13(8-10)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-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine?
1-(2-methoxy-4,6-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-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 120705993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).