(3-aminophenyl)-(4-propylsulfanylphenyl)methanone

C16H17NOS — CID 82073302

IUPAC(3-aminophenyl)-(4-propylsulfanylphenyl)methanone
SMILESCCCSc1ccc(C(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C16H17NOS/c1-2-10-19-15-8-6-12(7-9-15)16(18)13-4-3-5-14(17)11-13/h3-9,11H,2,10,17H2,1H3
InChIKeyHWWQNTAJXPRLNG-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.00
Rot. Bonds5

About (3-aminophenyl)-(4-propylsulfanylphenyl)methanone

(3-aminophenyl)-(4-propylsulfanylphenyl)methanone (PubChem CID 82073302) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (3-aminophenyl)-(4-propylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-propylsulfanylphenyl)methanone
PubChem CID82073302
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(3-aminophenyl)-(4-propylsulfanylphenyl)methanone
SMILESCCCSc1ccc(C(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C16H17NOS/c1-2-10-19-15-8-6-12(7-9-15)16(18)13-4-3-5-14(17)11-13/h3-9,11H,2,10,17H2,1H3
InChIKeyHWWQNTAJXPRLNG-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-propylsulfanylphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(4-propylsulfanylphenyl)methanone (CID 82073302) is (3-aminophenyl)-(4-propylsulfanylphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-propylsulfanylphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-propylsulfanylphenyl)methanone is CCCSc1ccc(C(=O)c2cccc(N)c2)cc1.
What is the InChIKey of (3-aminophenyl)-(4-propylsulfanylphenyl)methanone?
The InChIKey is HWWQNTAJXPRLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-10-19-15-8-6-12(7-9-15)16(18)13-4-3-5-14(17)11-13/h3-9,11H,2,10,17H2,1H3.
What are the key properties of (3-aminophenyl)-(4-propylsulfanylphenyl)methanone?
(3-aminophenyl)-(4-propylsulfanylphenyl)methanone has a molecular weight of 271.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-propylsulfanylphenyl)methanone is sourced from PubChem (CID 82073302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).