2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate

C19H28N2O2S — CID 154289657

IUPAC2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate
SMILESCc1cc(SCCOC(=O)NC2CCCCC2)c2c(n1)CCCC2
InChIInChI=1S/C19H28N2O2S/c1-14-13-18(16-9-5-6-10-17(16)20-14)24-12-11-23-19(22)21-15-7-3-2-4-8-15/h13,15H,2-12H2,1H3,(H,21,22)
InChIKeyPRWMJDGTMGCULX-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.42
Rot. Bonds5

About 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate

2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate (PubChem CID 154289657) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate
PubChem CID154289657
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate
SMILESCc1cc(SCCOC(=O)NC2CCCCC2)c2c(n1)CCCC2
InChIInChI=1S/C19H28N2O2S/c1-14-13-18(16-9-5-6-10-17(16)20-14)24-12-11-23-19(22)21-15-7-3-2-4-8-15/h13,15H,2-12H2,1H3,(H,21,22)
InChIKeyPRWMJDGTMGCULX-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate 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 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate?
The IUPAC name of 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate (CID 154289657) is 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate.
What is the SMILES notation for 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate?
The canonical SMILES for 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate is Cc1cc(SCCOC(=O)NC2CCCCC2)c2c(n1)CCCC2.
What is the InChIKey of 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate?
The InChIKey is PRWMJDGTMGCULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-13-18(16-9-5-6-10-17(16)20-14)24-12-11-23-19(22)21-15-7-3-2-4-8-15/h13,15H,2-12H2,1H3,(H,21,22).
What are the key properties of 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate?
2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate has a molecular weight of 348.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)sulfanyl]ethyl N-cyclohexylcarbamate is sourced from PubChem (CID 154289657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).