4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol

C14H17NOS — CID 106318389

IUPAC4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol
SMILESCNCCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C14H17NOS/c1-15-9-4-10-17-14-8-7-13(16)11-5-2-3-6-12(11)14/h2-3,5-8,15-16H,4,9-10H2,1H3
InChIKeySROCCQVKJOSJRL-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.25
Rot. Bonds5

About 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol

4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol (PubChem CID 106318389) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol
PubChem CID106318389
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol
SMILESCNCCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C14H17NOS/c1-15-9-4-10-17-14-8-7-13(16)11-5-2-3-6-12(11)14/h2-3,5-8,15-16H,4,9-10H2,1H3
InChIKeySROCCQVKJOSJRL-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol (CID 106318389) is 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol is CNCCCSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol?
The InChIKey is SROCCQVKJOSJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-15-9-4-10-17-14-8-7-13(16)11-5-2-3-6-12(11)14/h2-3,5-8,15-16H,4,9-10H2,1H3.
What are the key properties of 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol?
4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol has a molecular weight of 247.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 106318389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).