1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine

C15H23NOS — CID 104755249

IUPAC1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
SMILESCC(C)c1ccc(SCC(N)C2CCOC2)cc1
InChIInChI=1S/C15H23NOS/c1-11(2)12-3-5-14(6-4-12)18-10-15(16)13-7-8-17-9-13/h3-6,11,13,15H,7-10,16H2,1-2H3
InChIKeyMKEZOEXWWRSQBQ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.27
Rot. Bonds5

About 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine

1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine (PubChem CID 104755249) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
PubChem CID104755249
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
SMILESCC(C)c1ccc(SCC(N)C2CCOC2)cc1
InChIInChI=1S/C15H23NOS/c1-11(2)12-3-5-14(6-4-12)18-10-15(16)13-7-8-17-9-13/h3-6,11,13,15H,7-10,16H2,1-2H3
InChIKeyMKEZOEXWWRSQBQ-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide
CID 104755373
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine
CID 106848650
1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 65331960
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755803
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104755690

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The IUPAC name of 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine (CID 104755249) is 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine is CC(C)c1ccc(SCC(N)C2CCOC2)cc1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The InChIKey is MKEZOEXWWRSQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)12-3-5-14(6-4-12)18-10-15(16)13-7-8-17-9-13/h3-6,11,13,15H,7-10,16H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine?
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine is sourced from PubChem (CID 104755249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).