N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine

C19H24N2O3S — CID 119979765

IUPACN-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-15-4-3-5-18(14-15)24-17-6-8-19(9-7-17)25(22,23)21-12-10-16(20-2)11-13-21/h3-9,14,16,20H,10-13H2,1-2H3
InChIKeyJDJDWOYITUYGLU-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.16
Rot. Bonds5

About N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine

N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine (PubChem CID 119979765) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine
PubChem CID119979765
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-15-4-3-5-18(14-15)24-17-6-8-19(9-7-17)25(22,23)21-12-10-16(20-2)11-13-21/h3-9,14,16,20H,10-13H2,1-2H3
InChIKeyJDJDWOYITUYGLU-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[4-(3-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977458
4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine
CID 90616697
1-[4-(3-methylphenoxy)phenyl]sulfonyl-1,4-diazepane
CID 119963151
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
1-[4-(3-methylphenoxy)phenyl]sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594410
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
4-methylsulfonyl-1-(4-phenoxyphenyl)sulfonylpiperidine
CID 90586579
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
CID 4521391
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine (CID 119979765) is N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)CC1.
What is the InChIKey of N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is JDJDWOYITUYGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-4-3-5-18(14-15)24-17-6-8-19(9-7-17)25(22,23)21-12-10-16(20-2)11-13-21/h3-9,14,16,20H,10-13H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine?
N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 360.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 119979765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).