N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine

C22H30N2O2S — CID 11315184

IUPACN-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CNCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-2-19-8-10-22(11-9-19)27(25,26)24-16-13-21(14-17-24)18-23-15-12-20-6-4-3-5-7-20/h3-11,21,23H,2,12-18H2,1H3
InChIKeyANPPQTDFTUNKQE-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.48
Rot. Bonds8

About N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine

N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine (PubChem CID 11315184) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine
PubChem CID11315184
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CNCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-2-19-8-10-22(11-9-19)27(25,26)24-16-13-21(14-17-24)18-23-15-12-20-6-4-3-5-7-20/h3-11,21,23H,2,12-18H2,1H3
InChIKeyANPPQTDFTUNKQE-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 119123184
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199535
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561671
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171857
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 46612216
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 46294811

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine (CID 11315184) is N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine is CCc1ccc(S(=O)(=O)N2CCC(CNCCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine?
The InChIKey is ANPPQTDFTUNKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-2-19-8-10-22(11-9-19)27(25,26)24-16-13-21(14-17-24)18-23-15-12-20-6-4-3-5-7-20/h3-11,21,23H,2,12-18H2,1H3.
What are the key properties of N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine?
N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine has a molecular weight of 386.56 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine is sourced from PubChem (CID 11315184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).