4-(2-aminopropylsulfanyl)naphthalen-1-ol

C13H15NOS — CID 102689557

IUPAC4-(2-aminopropylsulfanyl)naphthalen-1-ol
SMILESCC(N)CSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H15NOS/c1-9(14)8-16-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9,15H,8,14H2,1H3
InChIKeyWXPXVXFPXJVFLS-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.98
Rot. Bonds3

About 4-(2-aminopropylsulfanyl)naphthalen-1-ol

4-(2-aminopropylsulfanyl)naphthalen-1-ol (PubChem CID 102689557) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(2-aminopropylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2-aminopropylsulfanyl)naphthalen-1-ol
PubChem CID102689557
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(2-aminopropylsulfanyl)naphthalen-1-ol
SMILESCC(N)CSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H15NOS/c1-9(14)8-16-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9,15H,8,14H2,1H3
InChIKeyWXPXVXFPXJVFLS-UHFFFAOYSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(2-aminopropylsulfanyl)naphthalen-1-ol (CID 102689557) is 4-(2-aminopropylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2-aminopropylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(2-aminopropylsulfanyl)naphthalen-1-ol is CC(N)CSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(2-aminopropylsulfanyl)naphthalen-1-ol?
The InChIKey is WXPXVXFPXJVFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9(14)8-16-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,9,15H,8,14H2,1H3.
What are the key properties of 4-(2-aminopropylsulfanyl)naphthalen-1-ol?
4-(2-aminopropylsulfanyl)naphthalen-1-ol has a molecular weight of 233.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 102689557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).