3-(4-methylsulfanylphenyl)oxolan-3-amine

C11H15NOS — CID 131631785

IUPAC3-(4-methylsulfanylphenyl)oxolan-3-amine
SMILESCSc1ccc(C2(N)CCOC2)cc1
InChIInChI=1S/C11H15NOS/c1-14-10-4-2-9(3-5-10)11(12)6-7-13-8-11/h2-5H,6-8,12H2,1H3
InChIKeyFVMNADLIXXWLNU-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.98
Rot. Bonds2

About 3-(4-methylsulfanylphenyl)oxolan-3-amine

3-(4-methylsulfanylphenyl)oxolan-3-amine (PubChem CID 131631785) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)oxolan-3-amine
PubChem CID131631785
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-(4-methylsulfanylphenyl)oxolan-3-amine
SMILESCSc1ccc(C2(N)CCOC2)cc1
InChIInChI=1S/C11H15NOS/c1-14-10-4-2-9(3-5-10)11(12)6-7-13-8-11/h2-5H,6-8,12H2,1H3
InChIKeyFVMNADLIXXWLNU-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)oxolan-3-amine?
The IUPAC name of 3-(4-methylsulfanylphenyl)oxolan-3-amine (CID 131631785) is 3-(4-methylsulfanylphenyl)oxolan-3-amine.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)oxolan-3-amine?
The canonical SMILES for 3-(4-methylsulfanylphenyl)oxolan-3-amine is CSc1ccc(C2(N)CCOC2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)oxolan-3-amine?
The InChIKey is FVMNADLIXXWLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-14-10-4-2-9(3-5-10)11(12)6-7-13-8-11/h2-5H,6-8,12H2,1H3.
What are the key properties of 3-(4-methylsulfanylphenyl)oxolan-3-amine?
3-(4-methylsulfanylphenyl)oxolan-3-amine has a molecular weight of 209.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)oxolan-3-amine is sourced from PubChem (CID 131631785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).