1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone

C22H26N2OS2 — CID 91748186

IUPAC1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1C(C)=O)c1ccccc1S2
InChIInChI=1S/C22H26N2OS2/c1-16(25)23-13-6-5-7-17(23)12-14-24-19-8-3-4-9-21(19)27-22-11-10-18(26-2)15-20(22)24/h3-4,8-11,15,17H,5-7,12-14H2,1-2H3
InChIKeyYCDMQFVMNFYJQK-UHFFFAOYSA-N
MW398.60 g/mol
LogP5.80
Rot. Bonds4

About 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone

1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone (PubChem CID 91748186) has the molecular formula C22H26N2OS2 and a molecular weight of 398.60 g/mol. Its IUPAC name is 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone
PubChem CID91748186
Molecular FormulaC22H26N2OS2
Molecular Weight398.60 g/mol
Exact Mass398.15
IUPAC Name1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1C(C)=O)c1ccccc1S2
InChIInChI=1S/C22H26N2OS2/c1-16(25)23-13-6-5-7-17(23)12-14-24-19-8-3-4-9-21(19)27-22-11-10-18(26-2)15-20(22)24/h3-4,8-11,15,17H,5-7,12-14H2,1-2H3
InChIKeyYCDMQFVMNFYJQK-UHFFFAOYSA-N
XLogP5.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 55.80
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
1-[3-(2-methylsulfanylphenothiazin-10-yl)propyl]piperidine-4-carboxylic acid
CID 144985783
10-[2-(1-methylpiperidin-3-yl)ethyl]-2-methylsulfanylphenothiazine
CID 15725336
2-methylsulfanyl-10-[4-(4-phenylpiperidin-1-yl)butyl]phenothiazine
CID 135251836
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
CID 71744833
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
CID 53298655
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine;10H-phenothiazine
CID 18787840
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
[2-(2-chloroethyl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 63393444
1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
CID 21438270
(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95714212

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone (CID 91748186) is 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone is CSc1ccc2c(c1)N(CCC1CCCCN1C(C)=O)c1ccccc1S2.
What is the InChIKey of 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is YCDMQFVMNFYJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS2/c1-16(25)23-13-6-5-7-17(23)12-14-24-19-8-3-4-9-21(19)27-22-11-10-18(26-2)15-20(22)24/h3-4,8-11,15,17H,5-7,12-14H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone?
1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 398.60 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91748186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).