2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine

C20H24N2S — CID 164922828

IUPAC2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine
SMILESCc1ccc2c(c1)N(C[C@H]1CCCN(C)C1)c1ccccc1S2
InChIInChI=1S/C20H24N2S/c1-15-9-10-20-18(12-15)22(14-16-6-5-11-21(2)13-16)17-7-3-4-8-19(17)23-20/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyHEOVMZXVAKVEFS-INIZCTEOSA-N
MW324.49 g/mol
LogP4.94
Rot. Bonds2

About 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine

2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine (PubChem CID 164922828) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine.

Molecular Properties

Compound Name2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine
PubChem CID164922828
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC Name2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine
SMILESCc1ccc2c(c1)N(C[C@H]1CCCN(C)C1)c1ccccc1S2
InChIInChI=1S/C20H24N2S/c1-15-9-10-20-18(12-15)22(14-16-6-5-11-21(2)13-16)17-7-3-4-8-19(17)23-20/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyHEOVMZXVAKVEFS-INIZCTEOSA-N
XLogP4.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine 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

10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine
CID 86303258
10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
CID 14677
2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol
CID 90203365
10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine
CID 15725336
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-1-yl]ethanamine
CID 58080970
N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine
CID 158500494
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879
4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine
CID 135264183
bis((Z)-but-2-enedioic acid);2-methyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 25111881
dimethyl-[3-(2-methylphenothiazin-10-yl)propyl]-propan-2-ylazanium
CID 155714521
N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine
CID 143961192
10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride
CID 146675496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine?
The IUPAC name of 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine (CID 164922828) is 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine.
What is the SMILES notation for 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine?
The canonical SMILES for 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine is Cc1ccc2c(c1)N(C[C@H]1CCCN(C)C1)c1ccccc1S2.
What is the InChIKey of 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine?
The InChIKey is HEOVMZXVAKVEFS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2S/c1-15-9-10-20-18(12-15)22(14-16-6-5-11-21(2)13-16)17-7-3-4-8-19(17)23-20/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine?
2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine has a molecular weight of 324.49 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine is sourced from PubChem (CID 164922828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).