2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol

C24H33NOS — CID 27104

IUPAC2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol
SMILESSCC(CC1CCC(CCN2CCCCC2)O1)c1cccc2ccccc12
InChIInChI=1S/C24H33NOS/c27-18-20(24-10-6-8-19-7-2-3-9-23(19)24)17-22-12-11-21(26-22)13-16-25-14-4-1-5-15-25/h2-3,6-10,20-22,27H,1,4-5,11-18H2
InChIKeyFIWPUTDAOPJFHH-UHFFFAOYSA-N
MW383.60 g/mol
LogP5.67
Rot. Bonds7

About 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol

2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol (PubChem CID 27104) has the molecular formula C24H33NOS and a molecular weight of 383.60 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol.

Molecular Properties

Compound Name2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol
PubChem CID27104
Molecular FormulaC24H33NOS
Molecular Weight383.60 g/mol
Exact Mass383.23
IUPAC Name2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol
SMILESSCC(CC1CCC(CCN2CCCCC2)O1)c1cccc2ccccc12
InChIInChI=1S/C24H33NOS/c27-18-20(24-10-6-8-19-7-2-3-9-23(19)24)17-22-12-11-21(26-22)13-16-25-14-4-1-5-15-25/h2-3,6-10,20-22,27H,1,4-5,11-18H2
InChIKeyFIWPUTDAOPJFHH-UHFFFAOYSA-N
XLogP5.67
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.60
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol with MolForge

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

Launch Full Analysis

Related Compounds

2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-5-(2-piperidinoethyl)-, oxalate
CID 27103
2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-S-(2-pyrrolidinoethyl)-
CID 39473
2-Furanpropanethiol, tetrahydro-S-(2-morpholinoethyl)-beta-(1-naphthyl)-
CID 39474
2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 25166
2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 25348
4-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
CID 27106
N,N-dimethyl-2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27141
N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27143
2-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]piperidine
CID 27169
N,N-diethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 52650
1-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]piperidine
CID 201079
4-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]morpholine
CID 201083

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol?
The IUPAC name of 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol (CID 27104) is 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol.
What is the SMILES notation for 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol?
The canonical SMILES for 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol is SCC(CC1CCC(CCN2CCCCC2)O1)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol?
The InChIKey is FIWPUTDAOPJFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NOS/c27-18-20(24-10-6-8-19-7-2-3-9-23(19)24)17-22-12-11-21(26-22)13-16-25-14-4-1-5-15-25/h2-3,6-10,20-22,27H,1,4-5,11-18H2.
What are the key properties of 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol?
2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol has a molecular weight of 383.60 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol is sourced from PubChem (CID 27104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).