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

C21H26N2S2 — CID 5452

IUPAC10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2
InChIInChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKeyKLBQZWRITKRQQV-UHFFFAOYSA-N
MW370.59 g/mol
LogP5.89
Rot. Bonds4

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

10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine (PubChem CID 5452) has the molecular formula C21H26N2S2 and a molecular weight of 370.59 g/mol. Its IUPAC name is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine.

Molecular Properties

Compound Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
PubChem CID5452
Molecular FormulaC21H26N2S2
Molecular Weight370.59 g/mol
Exact Mass370.15
IUPAC Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2
InChIInChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKeyKLBQZWRITKRQQV-UHFFFAOYSA-N
XLogP5.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Mesoridazine
CID 4078
Promazine
CID 4926
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Thioridazine Hydrochloride
CID 66062
Perazine
CID 4744
Methdilazine
CID 14677
(+-)-Ethopropazine
CID 3290
Promazine Hydrochloride
CID 5887
Pecazine
CID 6075

Frequently Asked Questions

What is the IUPAC name of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine?
The IUPAC name of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine (CID 5452) is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine.
What is the SMILES notation for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine?
The canonical SMILES for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine is CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.
What is the InChIKey of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine?
The InChIKey is KLBQZWRITKRQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)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-methylsulfanylphenothiazine?
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine has a molecular weight of 370.59 g/mol, XLogP of 5.89, 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-methylsulfanylphenothiazine is sourced from PubChem (CID 5452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).