5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol

C18H19NO2S — CID 10086952

IUPAC5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol
SMILESCNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1
InChIInChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1
InChIKeyLEIFDHLVPBJTIV-KRWDZBQOSA-N
MW313.42 g/mol
LogP4.34
Rot. Bonds6

About 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol

5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol (PubChem CID 10086952) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol.

Molecular Properties

Compound Name5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol
PubChem CID10086952
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol
SMILESCNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1
InChIInChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1
InChIKeyLEIFDHLVPBJTIV-KRWDZBQOSA-N
XLogP4.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol?
The IUPAC name of 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol (CID 10086952) is 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol.
What is the SMILES notation for 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol?
The canonical SMILES for 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol is CNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1.
What is the InChIKey of 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol?
The InChIKey is LEIFDHLVPBJTIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1.
What are the key properties of 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol?
5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol has a molecular weight of 313.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-ol is sourced from PubChem (CID 10086952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).