10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide

C21H26N2O2S2 — CID 118753627

IUPAC10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2(=O)=O
InChIInChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)27(24,25)21-11-10-17(26-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKeyYVKXVUABTJSMKC-UHFFFAOYSA-N
MW402.59 g/mol
LogP4.57
Rot. Bonds4

About 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide

10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide (PubChem CID 118753627) has the molecular formula C21H26N2O2S2 and a molecular weight of 402.59 g/mol. Its IUPAC name is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide
PubChem CID118753627
Molecular FormulaC21H26N2O2S2
Molecular Weight402.59 g/mol
Exact Mass402.14
IUPAC Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2(=O)=O
InChIInChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)27(24,25)21-11-10-17(26-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKeyYVKXVUABTJSMKC-UHFFFAOYSA-N
XLogP4.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
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-methylsulfanylphenothiazine 5,5-dioxide?
The IUPAC name of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide (CID 118753627) is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide.
What is the SMILES notation for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide?
The canonical SMILES for 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide is CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2(=O)=O.
What is the InChIKey of 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide?
The InChIKey is YVKXVUABTJSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)27(24,25)21-11-10-17(26-2)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 5,5-dioxide?
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide has a molecular weight of 402.59 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 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-methylsulfanylphenothiazine 5,5-dioxide is sourced from PubChem (CID 118753627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).