1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine

C15H23NOS — CID 104993443

IUPAC1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCSc1ccccc1C(N)CCCC1CCCO1
InChIInChI=1S/C15H23NOS/c1-18-15-10-3-2-8-13(15)14(16)9-4-6-12-7-5-11-17-12/h2-3,8,10,12,14H,4-7,9,11,16H2,1H3
InChIKeyNCRSXAXVJAHZKG-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.76
Rot. Bonds6

About 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine

1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 104993443) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID104993443
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCSc1ccccc1C(N)CCCC1CCCO1
InChIInChI=1S/C15H23NOS/c1-18-15-10-3-2-8-13(15)14(16)9-4-6-12-7-5-11-17-12/h2-3,8,10,12,14H,4-7,9,11,16H2,1H3
InChIKeyNCRSXAXVJAHZKG-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-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-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156648
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530
1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
CID 66141385
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine (CID 104993443) is 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine is CSc1ccccc1C(N)CCCC1CCCO1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is NCRSXAXVJAHZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-15-10-3-2-8-13(15)14(16)9-4-6-12-7-5-11-17-12/h2-3,8,10,12,14H,4-7,9,11,16H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine?
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104993443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).