3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine

C10H14FNOS — CID 58684277

IUPAC3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine
SMILESNCCCS(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FNOS/c11-10-4-2-9(3-5-10)8-14(13)7-1-6-12/h2-5H,1,6-8,12H2
InChIKeyGYBVHYMELUASHN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.42
Rot. Bonds5

About 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine

3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine (PubChem CID 58684277) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine
PubChem CID58684277
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine
SMILESNCCCS(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FNOS/c11-10-4-2-9(3-5-10)8-14(13)7-1-6-12/h2-5H,1,6-8,12H2
InChIKeyGYBVHYMELUASHN-UHFFFAOYSA-N
XLogP1.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine (CID 58684277) is 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine is NCCCS(=O)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine?
The InChIKey is GYBVHYMELUASHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c11-10-4-2-9(3-5-10)8-14(13)7-1-6-12/h2-5H,1,6-8,12H2.
What are the key properties of 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine?
3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine has a molecular weight of 215.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfinyl]propan-1-amine is sourced from PubChem (CID 58684277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).