methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium

C18H20NOS+ — CID 24848260

IUPACmethyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium
SMILESC[NH2+]CC[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/p+1/t17-/m0/s1
InChIKeyZEUITGRIYCTCEM-KRWDZBQOSA-O
MW298.43 g/mol
LogP3.60
Rot. Bonds6

About methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium

methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium (PubChem CID 24848260) has the molecular formula C18H20NOS+ and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium.

Molecular Properties

Compound Namemethyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium
PubChem CID24848260
Molecular FormulaC18H20NOS+
Molecular Weight298.43 g/mol
Exact Mass298.13
IUPAC Namemethyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium
SMILESC[NH2+]CC[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/p+1/t17-/m0/s1
InChIKeyZEUITGRIYCTCEM-KRWDZBQOSA-O
XLogP3.60
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium 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 methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium?
The IUPAC name of methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium (CID 24848260) is methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium.
What is the SMILES notation for methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium?
The canonical SMILES for methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium is C[NH2+]CC[C@H](Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium?
The InChIKey is ZEUITGRIYCTCEM-KRWDZBQOSA-O. The full InChI is InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/p+1/t17-/m0/s1.
What are the key properties of methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium?
methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium has a molecular weight of 298.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]azanium is sourced from PubChem (CID 24848260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).