(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol

C10H14FNOS — CID 57118617

IUPAC(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol
SMILESN[C@H](CO)CCSc1ccccc1F
InChIInChI=1S/C10H14FNOS/c11-9-3-1-2-4-10(9)14-6-5-8(12)7-13/h1-4,8,13H,5-7,12H2/t8-/m0/s1
InChIKeyPMHKVTNSXVQFRG-QMMMGPOBSA-N
MW215.29 g/mol
LogP1.63
Rot. Bonds5

About (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol

(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol (PubChem CID 57118617) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol
PubChem CID57118617
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol
SMILESN[C@H](CO)CCSc1ccccc1F
InChIInChI=1S/C10H14FNOS/c11-9-3-1-2-4-10(9)14-6-5-8(12)7-13/h1-4,8,13H,5-7,12H2/t8-/m0/s1
InChIKeyPMHKVTNSXVQFRG-QMMMGPOBSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol?
The IUPAC name of (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol (CID 57118617) is (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol is N[C@H](CO)CCSc1ccccc1F.
What is the InChIKey of (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol?
The InChIKey is PMHKVTNSXVQFRG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14FNOS/c11-9-3-1-2-4-10(9)14-6-5-8(12)7-13/h1-4,8,13H,5-7,12H2/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol?
(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol has a molecular weight of 215.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 57118617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).