1-(2-anilinophenyl)sulfanylpropan-2-ol

C15H17NOS — CID 15265334

IUPAC1-(2-anilinophenyl)sulfanylpropan-2-ol
SMILESCC(O)CSc1ccccc1Nc1ccccc1
InChIInChI=1S/C15H17NOS/c1-12(17)11-18-15-10-6-5-9-14(15)16-13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3
InChIKeyKUVQGPYMKIQIRQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.90
Rot. Bonds5

About 1-(2-anilinophenyl)sulfanylpropan-2-ol

1-(2-anilinophenyl)sulfanylpropan-2-ol (PubChem CID 15265334) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(2-anilinophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-anilinophenyl)sulfanylpropan-2-ol
PubChem CID15265334
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(2-anilinophenyl)sulfanylpropan-2-ol
SMILESCC(O)CSc1ccccc1Nc1ccccc1
InChIInChI=1S/C15H17NOS/c1-12(17)11-18-15-10-6-5-9-14(15)16-13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3
InChIKeyKUVQGPYMKIQIRQ-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-anilinophenyl)sulfanylpropan-2-ol (CID 15265334) is 1-(2-anilinophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-anilinophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-anilinophenyl)sulfanylpropan-2-ol is CC(O)CSc1ccccc1Nc1ccccc1.
What is the InChIKey of 1-(2-anilinophenyl)sulfanylpropan-2-ol?
The InChIKey is KUVQGPYMKIQIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12(17)11-18-15-10-6-5-9-14(15)16-13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3.
What are the key properties of 1-(2-anilinophenyl)sulfanylpropan-2-ol?
1-(2-anilinophenyl)sulfanylpropan-2-ol has a molecular weight of 259.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 15265334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).