[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine

C12H17NOS — CID 107751940

IUPAC[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
SMILESCC1OCCC1Sc1ccccc1CN
InChIInChI=1S/C12H17NOS/c1-9-11(6-7-14-9)15-12-5-3-2-4-10(12)8-13/h2-5,9,11H,6-8,13H2,1H3
InChIKeyYIOHHFJJMXPKRQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.41
Rot. Bonds3

About [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine

[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine (PubChem CID 107751940) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
PubChem CID107751940
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
SMILESCC1OCCC1Sc1ccccc1CN
InChIInChI=1S/C12H17NOS/c1-9-11(6-7-14-9)15-12-5-3-2-4-10(12)8-13/h2-5,9,11H,6-8,13H2,1H3
InChIKeyYIOHHFJJMXPKRQ-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine?
The IUPAC name of [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine (CID 107751940) is [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine is CC1OCCC1Sc1ccccc1CN.
What is the InChIKey of [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine?
The InChIKey is YIOHHFJJMXPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-11(6-7-14-9)15-12-5-3-2-4-10(12)8-13/h2-5,9,11H,6-8,13H2,1H3.
What are the key properties of [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine?
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine has a molecular weight of 223.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 107751940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).