1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol

C16H19NOS — CID 116696162

IUPAC1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol
SMILESNCC(O)(CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NOS/c17-13-16(18,14-7-3-1-4-8-14)11-12-19-15-9-5-2-6-10-15/h1-10,18H,11-13,17H2
InChIKeyHGAAGTQQKFVVQP-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.02
Rot. Bonds6

About 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol

1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol (PubChem CID 116696162) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol
PubChem CID116696162
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol
SMILESNCC(O)(CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NOS/c17-13-16(18,14-7-3-1-4-8-14)11-12-19-15-9-5-2-6-10-15/h1-10,18H,11-13,17H2
InChIKeyHGAAGTQQKFVVQP-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol?
The IUPAC name of 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol (CID 116696162) is 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol.
What is the SMILES notation for 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol?
The canonical SMILES for 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol is NCC(O)(CCSc1ccccc1)c1ccccc1.
What is the InChIKey of 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol?
The InChIKey is HGAAGTQQKFVVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c17-13-16(18,14-7-3-1-4-8-14)11-12-19-15-9-5-2-6-10-15/h1-10,18H,11-13,17H2.
What are the key properties of 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol?
1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol has a molecular weight of 273.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol is sourced from PubChem (CID 116696162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).