10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol

C21H26N2OS2 — CID 155234976

IUPAC10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol
SMILESCSc1ccc2c(c1O)N(CCC1CCCCN1C)c1ccccc1S2
InChIInChI=1S/C21H26N2OS2/c1-22-13-6-5-7-15(22)12-14-23-16-8-3-4-9-17(16)26-18-10-11-19(25-2)21(24)20(18)23/h3-4,8-11,15,24H,5-7,12-14H2,1-2H3
InChIKeyXUGUDODZLAKEJN-UHFFFAOYSA-N
MW386.59 g/mol
LogP5.59
Rot. Bonds4

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

10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol (PubChem CID 155234976) 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-methylsulfanylphenothiazin-1-ol.

Molecular Properties

Compound Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol
PubChem CID155234976
Molecular FormulaC21H26N2OS2
Molecular Weight386.59 g/mol
Exact Mass386.15
IUPAC Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol
SMILESCSc1ccc2c(c1O)N(CCC1CCCCN1C)c1ccccc1S2
InChIInChI=1S/C21H26N2OS2/c1-22-13-6-5-7-15(22)12-14-23-16-8-3-4-9-17(16)26-18-10-11-19(25-2)21(24)20(18)23/h3-4,8-11,15,24H,5-7,12-14H2,1-2H3
InChIKeyXUGUDODZLAKEJN-UHFFFAOYSA-N
XLogP5.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol?
The IUPAC name of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol (CID 155234976) is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol.
What is the SMILES notation for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol?
The canonical SMILES for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol is CSc1ccc2c(c1O)N(CCC1CCCCN1C)c1ccccc1S2.
What is the InChIKey of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol?
The InChIKey is XUGUDODZLAKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-15(22)12-14-23-16-8-3-4-9-17(16)26-18-10-11-19(25-2)21(24)20(18)23/h3-4,8-11,15,24H,5-7,12-14H2,1-2H3.
What are the key properties of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol?
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol has a molecular weight of 386.59 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazin-1-ol is sourced from PubChem (CID 155234976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).