2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine

C20H24N2S2 — CID 558813

IUPAC2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1)c1ccccc1S2
InChIInChI=1S/C20H24N2S2/c1-23-16-9-10-20-18(14-16)22(13-11-15-6-4-5-12-21-15)17-7-2-3-8-19(17)24-20/h2-3,7-10,14-15,21H,4-6,11-13H2,1H3
InChIKeyUFDCSHQNNVQXAS-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.54
Rot. Bonds4

About 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine

2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine (PubChem CID 558813) has the molecular formula C20H24N2S2 and a molecular weight of 356.56 g/mol. Its IUPAC name is 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine.

Molecular Properties

Compound Name2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine
PubChem CID558813
Molecular FormulaC20H24N2S2
Molecular Weight356.56 g/mol
Exact Mass356.14
IUPAC Name2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1)c1ccccc1S2
InChIInChI=1S/C20H24N2S2/c1-23-16-9-10-20-18(14-16)22(13-11-15-6-4-5-12-21-15)17-7-2-3-8-19(17)24-20/h2-3,7-10,14-15,21H,4-6,11-13H2,1H3
InChIKeyUFDCSHQNNVQXAS-UHFFFAOYSA-N
XLogP5.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine?
The IUPAC name of 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine (CID 558813) is 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine.
What is the SMILES notation for 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine?
The canonical SMILES for 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine is CSc1ccc2c(c1)N(CCC1CCCCN1)c1ccccc1S2.
What is the InChIKey of 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine?
The InChIKey is UFDCSHQNNVQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S2/c1-23-16-9-10-20-18(14-16)22(13-11-15-6-4-5-12-21-15)17-7-2-3-8-19(17)24-20/h2-3,7-10,14-15,21H,4-6,11-13H2,1H3.
What are the key properties of 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine?
2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine has a molecular weight of 356.56 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine is sourced from PubChem (CID 558813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).