10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine

C21H26N2S2 — CID 15725336

IUPAC10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine
SMILESCSc1ccc2c(c1)N(CCC1CCCN(C)C1)c1ccccc1S2
InChIInChI=1S/C21H26N2S2/c1-22-12-5-6-16(15-22)11-13-23-18-7-3-4-8-20(18)25-21-10-9-17(24-2)14-19(21)23/h3-4,7-10,14,16H,5-6,11-13,15H2,1-2H3
InChIKeyRPLQPJCWDWQQCO-UHFFFAOYSA-N
MW370.59 g/mol
LogP5.74
Rot. Bonds4

About 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine

10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine (PubChem CID 15725336) has the molecular formula C21H26N2S2 and a molecular weight of 370.59 g/mol. Its IUPAC name is 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine.

Molecular Properties

Compound Name10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine
PubChem CID15725336
Molecular FormulaC21H26N2S2
Molecular Weight370.59 g/mol
Exact Mass370.15
IUPAC Name10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine
SMILESCSc1ccc2c(c1)N(CCC1CCCN(C)C1)c1ccccc1S2
InChIInChI=1S/C21H26N2S2/c1-22-12-5-6-16(15-22)11-13-23-18-7-3-4-8-20(18)25-21-10-9-17(24-2)14-19(21)23/h3-4,7-10,14,16H,5-6,11-13,15H2,1-2H3
InChIKeyRPLQPJCWDWQQCO-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine);hydrochloride
CID 70253179
2-methylsulfanyl-10-[4-(4-phenylpiperidin-1-yl)butyl]phenothiazine
CID 135251836
2-methylsulfanyl-10-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]phenothiazine
CID 135251866
1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone
CID 91748186
2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine
CID 164922828
1-[3-(2-methylsulfanylphenothiazin-10-yl)propyl]piperidine-4-carboxylic acid
CID 144985783
10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine
CID 86303258
10-[2-(1-methyl-1-prop-2-enylpiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine bromide
CID 155234459
10-[2-(1-dodecyl-1-methylpiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine bromide
CID 155234132
10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
CID 14677
1-methyl-3-[4-(9H-thioxanthen-9-yl)butyl]piperidine
CID 155569783
2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol
CID 90203365

Frequently Asked Questions

What is the IUPAC name of 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine?
The IUPAC name of 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine (CID 15725336) is 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine.
What is the SMILES notation for 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine?
The canonical SMILES for 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine is CSc1ccc2c(c1)N(CCC1CCCN(C)C1)c1ccccc1S2.
What is the InChIKey of 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine?
The InChIKey is RPLQPJCWDWQQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S2/c1-22-12-5-6-16(15-22)11-13-23-18-7-3-4-8-20(18)25-21-10-9-17(24-2)14-19(21)23/h3-4,7-10,14,16H,5-6,11-13,15H2,1-2H3.
What are the key properties of 10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine?
10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine has a molecular weight of 370.59 g/mol, XLogP of 5.74, 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-3-yl)ethyl]-2-methylsulfanylphenothiazine is sourced from PubChem (CID 15725336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).