1-(3-methoxyphenyl)-2-pentylsulfonylethanamine

C14H23NO3S — CID 107758487

IUPAC1-(3-methoxyphenyl)-2-pentylsulfonylethanamine
SMILESCCCCCS(=O)(=O)CC(N)c1cccc(OC)c1
InChIInChI=1S/C14H23NO3S/c1-3-4-5-9-19(16,17)11-14(15)12-7-6-8-13(10-12)18-2/h6-8,10,14H,3-5,9,11,15H2,1-2H3
InChIKeyIAXYVUFDJUKDIE-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds8

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

1-(3-methoxyphenyl)-2-pentylsulfonylethanamine (PubChem CID 107758487) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-pentylsulfonylethanamine
PubChem CID107758487
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(3-methoxyphenyl)-2-pentylsulfonylethanamine
SMILESCCCCCS(=O)(=O)CC(N)c1cccc(OC)c1
InChIInChI=1S/C14H23NO3S/c1-3-4-5-9-19(16,17)11-14(15)12-7-6-8-13(10-12)18-2/h6-8,10,14H,3-5,9,11,15H2,1-2H3
InChIKeyIAXYVUFDJUKDIE-UHFFFAOYSA-N
XLogP2.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.30
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)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 64674550
4-ethylsulfonyl-1-(3-propoxyphenyl)butan-1-amine
CID 115865348
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine
CID 82360005

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine (CID 107758487) is 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine is CCCCCS(=O)(=O)CC(N)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine?
The InChIKey is IAXYVUFDJUKDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-4-5-9-19(16,17)11-14(15)12-7-6-8-13(10-12)18-2/h6-8,10,14H,3-5,9,11,15H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine?
1-(3-methoxyphenyl)-2-pentylsulfonylethanamine has a molecular weight of 285.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-pentylsulfonylethanamine is sourced from PubChem (CID 107758487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).