10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine

C21H26N2OS2 — CID 4078

💊View drug profile → mesoridazine
IUPAC10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
SMILESCN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21
InChIInChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKeySLVMESMUVMCQIY-UHFFFAOYSA-N
MW386.59 g/mol
LogP4.90
Rot. Bonds4

About 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine

10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine (PubChem CID 4078) has the molecular formula C21H26N2OS2 and a molecular weight of 386.59 g/mol. Its IUPAC name is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine.

Molecular Properties

Compound Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
PubChem CID4078
Molecular FormulaC21H26N2OS2
Molecular Weight386.59 g/mol
Exact Mass386.15
IUPAC Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
SMILESCN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21
InChIInChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKeySLVMESMUVMCQIY-UHFFFAOYSA-N
XLogP4.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine 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

Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Promazine
CID 4926
Thioridazine
CID 5452
Thiethylperazine
CID 5440
Thioridazine Hydrochloride
CID 66062
Perazine
CID 4744
(+-)-Ethopropazine
CID 3290
Promazine Hydrochloride
CID 5887
Pecazine
CID 6075
Sulforidazine
CID 31765
Oxomemazine
CID 19396

Frequently Asked Questions

What is the IUPAC name of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine?
The IUPAC name of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine (CID 4078) is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine.
What is the SMILES notation for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine?
The canonical SMILES for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine is CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21.
What is the InChIKey of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine?
The InChIKey is SLVMESMUVMCQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3.
What are the key properties of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine?
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine has a molecular weight of 386.59 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine is sourced from PubChem (CID 4078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).