4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide

C21H23FN2O2S — CID 3645729

IUPAC4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C21H23FN2O2S/c22-19-7-5-17(6-8-19)15-24-16-18(20-3-1-2-4-21(20)24)9-10-23-11-13-27(25,26)14-12-23/h1-8,16H,9-15H2
InChIKeyDDEPXLQZTPGPRT-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.10
Rot. Bonds5

About 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 3645729) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID3645729
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC Name4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C21H23FN2O2S/c22-19-7-5-17(6-8-19)15-24-16-18(20-3-1-2-4-21(20)24)9-10-23-11-13-27(25,26)14-12-23/h1-8,16H,9-15H2
InChIKeyDDEPXLQZTPGPRT-UHFFFAOYSA-N
XLogP3.10
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide 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 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide (CID 3645729) is 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is DDEPXLQZTPGPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c22-19-7-5-17(6-8-19)15-24-16-18(20-3-1-2-4-21(20)24)9-10-23-11-13-27(25,26)14-12-23/h1-8,16H,9-15H2.
What are the key properties of 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 386.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 3645729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).