2-[(S)-phenylsulfinyl]ethanamine

C8H11NOS — CID 51410895

IUPAC2-[(S)-phenylsulfinyl]ethanamine
SMILESNCC[S@](=O)c1ccccc1
InChIInChI=1S/C8H11NOS/c9-6-7-11(10)8-4-2-1-3-5-8/h1-5H,6-7,9H2/t11-/m0/s1
InChIKeyUSGBICHYFBISPZ-NSHDSACASA-N
MW169.25 g/mol
LogP0.75
Rot. Bonds3

About 2-[(S)-phenylsulfinyl]ethanamine

2-[(S)-phenylsulfinyl]ethanamine (PubChem CID 51410895) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-[(S)-phenylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(S)-phenylsulfinyl]ethanamine
PubChem CID51410895
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-[(S)-phenylsulfinyl]ethanamine
SMILESNCC[S@](=O)c1ccccc1
InChIInChI=1S/C8H11NOS/c9-6-7-11(10)8-4-2-1-3-5-8/h1-5H,6-7,9H2/t11-/m0/s1
InChIKeyUSGBICHYFBISPZ-NSHDSACASA-N
XLogP0.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-phenylsulfinyl]ethanamine?
The IUPAC name of 2-[(S)-phenylsulfinyl]ethanamine (CID 51410895) is 2-[(S)-phenylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(S)-phenylsulfinyl]ethanamine?
The canonical SMILES for 2-[(S)-phenylsulfinyl]ethanamine is NCC[S@](=O)c1ccccc1.
What is the InChIKey of 2-[(S)-phenylsulfinyl]ethanamine?
The InChIKey is USGBICHYFBISPZ-NSHDSACASA-N. The full InChI is InChI=1S/C8H11NOS/c9-6-7-11(10)8-4-2-1-3-5-8/h1-5H,6-7,9H2/t11-/m0/s1.
What are the key properties of 2-[(S)-phenylsulfinyl]ethanamine?
2-[(S)-phenylsulfinyl]ethanamine has a molecular weight of 169.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-phenylsulfinyl]ethanamine is sourced from PubChem (CID 51410895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).