1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol

C15H17NOS — CID 20572787

IUPAC1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol
SMILESNCC(O)Cc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C15H17NOS/c16-11-13(17)10-12-6-8-15(9-7-12)18-14-4-2-1-3-5-14/h1-9,13,17H,10-11,16H2
InChIKeyGWOKBGIUSKBVPB-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.70
Rot. Bonds5

About 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol

1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol (PubChem CID 20572787) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol
PubChem CID20572787
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol
SMILESNCC(O)Cc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C15H17NOS/c16-11-13(17)10-12-6-8-15(9-7-12)18-14-4-2-1-3-5-14/h1-9,13,17H,10-11,16H2
InChIKeyGWOKBGIUSKBVPB-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol (CID 20572787) is 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol is NCC(O)Cc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol?
The InChIKey is GWOKBGIUSKBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c16-11-13(17)10-12-6-8-15(9-7-12)18-14-4-2-1-3-5-14/h1-9,13,17H,10-11,16H2.
What are the key properties of 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol?
1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol has a molecular weight of 259.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-phenylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 20572787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).