(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine

C13H19NOS — CID 107750521

IUPAC(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
SMILESCC1OCCC1Sc1ccccc1[C@@H](C)N
InChIInChI=1S/C13H19NOS/c1-9(14)11-5-3-4-6-13(11)16-12-7-8-15-10(12)2/h3-6,9-10,12H,7-8,14H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyAWTDAHLTOLCJFD-GRZMOONWSA-N
MW237.37 g/mol
LogP2.98
Rot. Bonds3

About (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine

(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine (PubChem CID 107750521) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
PubChem CID107750521
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
SMILESCC1OCCC1Sc1ccccc1[C@@H](C)N
InChIInChI=1S/C13H19NOS/c1-9(14)11-5-3-4-6-13(11)16-12-7-8-15-10(12)2/h3-6,9-10,12H,7-8,14H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyAWTDAHLTOLCJFD-GRZMOONWSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine (CID 107750521) is (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine is CC1OCCC1Sc1ccccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine?
The InChIKey is AWTDAHLTOLCJFD-GRZMOONWSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9(14)11-5-3-4-6-13(11)16-12-7-8-15-10(12)2/h3-6,9-10,12H,7-8,14H2,1-2H3/t9-,10?,12?/m1/s1.
What are the key properties of (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine?
(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 107750521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).