(1R)-1-(2-methylsulfinylphenyl)ethanamine

C9H13NOS — CID 130655074

IUPAC(1R)-1-(2-methylsulfinylphenyl)ethanamine
SMILESC[C@@H](N)c1ccccc1S(C)=O
InChIInChI=1S/C9H13NOS/c1-7(10)8-5-3-4-6-9(8)12(2)11/h3-7H,10H2,1-2H3/t7-,12?/m1/s1
InChIKeyMNHWMCUCOFWLDA-OJYJAAIMSA-N
MW183.28 g/mol
LogP1.44
Rot. Bonds2

About (1R)-1-(2-methylsulfinylphenyl)ethanamine

(1R)-1-(2-methylsulfinylphenyl)ethanamine (PubChem CID 130655074) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (1R)-1-(2-methylsulfinylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylsulfinylphenyl)ethanamine
PubChem CID130655074
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(1R)-1-(2-methylsulfinylphenyl)ethanamine
SMILESC[C@@H](N)c1ccccc1S(C)=O
InChIInChI=1S/C9H13NOS/c1-7(10)8-5-3-4-6-9(8)12(2)11/h3-7H,10H2,1-2H3/t7-,12?/m1/s1
InChIKeyMNHWMCUCOFWLDA-OJYJAAIMSA-N
XLogP1.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylsulfinylphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-methylsulfinylphenyl)ethanamine (CID 130655074) is (1R)-1-(2-methylsulfinylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-methylsulfinylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-methylsulfinylphenyl)ethanamine is C[C@@H](N)c1ccccc1S(C)=O.
What is the InChIKey of (1R)-1-(2-methylsulfinylphenyl)ethanamine?
The InChIKey is MNHWMCUCOFWLDA-OJYJAAIMSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7(10)8-5-3-4-6-9(8)12(2)11/h3-7H,10H2,1-2H3/t7-,12?/m1/s1.
What are the key properties of (1R)-1-(2-methylsulfinylphenyl)ethanamine?
(1R)-1-(2-methylsulfinylphenyl)ethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylsulfinylphenyl)ethanamine is sourced from PubChem (CID 130655074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).