ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate

C23H26N2O2S — CID 10287434

IUPACethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate
SMILESCCOC(=O)NCCN1CCC(=C2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C23H26N2O2S/c1-2-27-23(26)24-13-16-25-14-11-17(12-15-25)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)22/h3-10H,2,11-16H2,1H3,(H,24,26)
InChIKeyMMEGKWWZMLGCQG-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.80
Rot. Bonds4

About ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate

ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate (PubChem CID 10287434) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate
PubChem CID10287434
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Nameethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate
SMILESCCOC(=O)NCCN1CCC(=C2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C23H26N2O2S/c1-2-27-23(26)24-13-16-25-14-11-17(12-15-25)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)22/h3-10H,2,11-16H2,1H3,(H,24,26)
InChIKeyMMEGKWWZMLGCQG-UHFFFAOYSA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Analyze ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate 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 ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate (CID 10287434) is ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate is CCOC(=O)NCCN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.
What is the InChIKey of ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate?
The InChIKey is MMEGKWWZMLGCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-2-27-23(26)24-13-16-25-14-11-17(12-15-25)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)22/h3-10H,2,11-16H2,1H3,(H,24,26).
What are the key properties of ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate?
ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate has a molecular weight of 394.54 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 10287434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).