1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine

C16H27NOS — CID 107758744

IUPAC1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine
SMILESCCCCCS(=O)C(C)C(N)c1ccc(CC)cc1
InChIInChI=1S/C16H27NOS/c1-4-6-7-12-19(18)13(3)16(17)15-10-8-14(5-2)9-11-15/h8-11,13,16H,4-7,12,17H2,1-3H3
InChIKeyMUQNXNQBRINAIA-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.58
Rot. Bonds8

About 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine

1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine (PubChem CID 107758744) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine
PubChem CID107758744
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine
SMILESCCCCCS(=O)C(C)C(N)c1ccc(CC)cc1
InChIInChI=1S/C16H27NOS/c1-4-6-7-12-19(18)13(3)16(17)15-10-8-14(5-2)9-11-15/h8-11,13,16H,4-7,12,17H2,1-3H3
InChIKeyMUQNXNQBRINAIA-UHFFFAOYSA-N
XLogP3.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-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-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
CID 64658616
2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide
CID 114232001
2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
CID 64660013
1-(4-ethylphenyl)-2-pentoxypropan-1-amine
CID 43310113
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
CID 64657896
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
1-(4-ethylphenyl)-2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 64658519
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
1-(4-ethylphenyl)decan-1-amine
CID 63412475
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine (CID 107758744) is 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine is CCCCCS(=O)C(C)C(N)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine?
The InChIKey is MUQNXNQBRINAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-6-7-12-19(18)13(3)16(17)15-10-8-14(5-2)9-11-15/h8-11,13,16H,4-7,12,17H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine?
1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine is sourced from PubChem (CID 107758744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).