1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol

C15H13NOS — CID 102281945

IUPAC1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol
SMILESNC(c1ccsc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H13NOS/c16-15(11-7-8-18-9-11)14-12-4-2-1-3-10(12)5-6-13(14)17/h1-9,15,17H,16H2
InChIKeyLWVPFYLLYYCDSI-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.65
Rot. Bonds2

About 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol

1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol (PubChem CID 102281945) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol
PubChem CID102281945
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol
SMILESNC(c1ccsc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H13NOS/c16-15(11-7-8-18-9-11)14-12-4-2-1-3-10(12)5-6-13(14)17/h1-9,15,17H,16H2
InChIKeyLWVPFYLLYYCDSI-UHFFFAOYSA-N
XLogP3.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol (CID 102281945) is 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol is NC(c1ccsc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol?
The InChIKey is LWVPFYLLYYCDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c16-15(11-7-8-18-9-11)14-12-4-2-1-3-10(12)5-6-13(14)17/h1-9,15,17H,16H2.
What are the key properties of 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol?
1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol has a molecular weight of 255.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(thiophen-3-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 102281945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).