N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine

C15H23NOS — CID 79332413

IUPACN-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1COC1)c1ccc(C)cc1
InChIInChI=1S/C15H23NOS/c1-3-8-16-15(11-18-14-9-17-10-14)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyMZMXGWPOIRJFIU-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.17
Rot. Bonds7

About N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine

N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 79332413) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
PubChem CID79332413
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1COC1)c1ccc(C)cc1
InChIInChI=1S/C15H23NOS/c1-3-8-16-15(11-18-14-9-17-10-14)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyMZMXGWPOIRJFIU-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-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

N-[2-(oxetan-3-ylsulfanyl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 79333233
N-[1-(4-tert-butylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79323052
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385
N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332301
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64626571
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79333350
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332878
N-[2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64610335
N-[2-cyclohexylsulfanyl-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107128784
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine (CID 79332413) is N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine is CCCNC(CSC1COC1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is MZMXGWPOIRJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-8-16-15(11-18-14-9-17-10-14)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine?
N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 79332413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).