1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine

C15H25NO3S — CID 107758622

IUPAC1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
SMILESCCCCCS(=O)(=O)CC(NC)c1cccc(OC)c1
InChIInChI=1S/C15H25NO3S/c1-4-5-6-10-20(17,18)12-15(16-2)13-8-7-9-14(11-13)19-3/h7-9,11,15-16H,4-6,10,12H2,1-3H3
InChIKeyOLJSCMTWBBYJKH-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.56
Rot. Bonds9

About 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine

1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine (PubChem CID 107758622) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
PubChem CID107758622
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
SMILESCCCCCS(=O)(=O)CC(NC)c1cccc(OC)c1
InChIInChI=1S/C15H25NO3S/c1-4-5-6-10-20(17,18)12-15(16-2)13-8-7-9-14(11-13)19-3/h7-9,11,15-16H,4-6,10,12H2,1-3H3
InChIKeyOLJSCMTWBBYJKH-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758487
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512
N-ethyl-1-(3-methylphenyl)-2-pentylsulfonylethanamine
CID 107758671
2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64675202
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759604
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine (CID 107758622) is 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine is CCCCCS(=O)(=O)CC(NC)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine?
The InChIKey is OLJSCMTWBBYJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-5-6-10-20(17,18)12-15(16-2)13-8-7-9-14(11-13)19-3/h7-9,11,15-16H,4-6,10,12H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine?
1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine has a molecular weight of 299.44 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine is sourced from PubChem (CID 107758622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).