1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol

C23H25NOS — CID 70690596

IUPAC1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H25NOS/c25-22(19-26-23-14-8-3-9-15-23)18-24(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,22,25H,16-19H2
InChIKeySFWQVUHZYXNTJW-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.84
Rot. Bonds9

About 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol

1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol (PubChem CID 70690596) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol
PubChem CID70690596
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H25NOS/c25-22(19-26-23-14-8-3-9-15-23)18-24(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,22,25H,16-19H2
InChIKeySFWQVUHZYXNTJW-UHFFFAOYSA-N
XLogP4.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol (CID 70690596) is 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol is OC(CSc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol?
The InChIKey is SFWQVUHZYXNTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS/c25-22(19-26-23-14-8-3-9-15-23)18-24(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,22,25H,16-19H2.
What are the key properties of 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol?
1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol has a molecular weight of 363.53 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzylamino)-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 70690596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).