2-[(R)-methylsulfinyl]ethanamine

C3H9NOS — CID 11029089

IUPAC2-[(R)-methylsulfinyl]ethanamine
SMILESC[S@@](=O)CCN
InChIInChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/t6-/m1/s1
InChIKeyPGAOVVJJOXMLCQ-ZCFIWIBFSA-N
MW107.18 g/mol
LogP-0.68
Rot. Bonds2

About 2-[(R)-methylsulfinyl]ethanamine

2-[(R)-methylsulfinyl]ethanamine (PubChem CID 11029089) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is 2-[(R)-methylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(R)-methylsulfinyl]ethanamine
PubChem CID11029089
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC Name2-[(R)-methylsulfinyl]ethanamine
SMILESC[S@@](=O)CCN
InChIInChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/t6-/m1/s1
InChIKeyPGAOVVJJOXMLCQ-ZCFIWIBFSA-N
XLogP-0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-methylsulfinyl]ethanamine?
The IUPAC name of 2-[(R)-methylsulfinyl]ethanamine (CID 11029089) is 2-[(R)-methylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(R)-methylsulfinyl]ethanamine?
The canonical SMILES for 2-[(R)-methylsulfinyl]ethanamine is C[S@@](=O)CCN.
What is the InChIKey of 2-[(R)-methylsulfinyl]ethanamine?
The InChIKey is PGAOVVJJOXMLCQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/t6-/m1/s1.
What are the key properties of 2-[(R)-methylsulfinyl]ethanamine?
2-[(R)-methylsulfinyl]ethanamine has a molecular weight of 107.18 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-methylsulfinyl]ethanamine is sourced from PubChem (CID 11029089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).