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Metopimazine

C22H27N3O3S2 — CID 26388

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2
InChIInChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
InChIKeyBQDBKDMTIJBJLA-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.28
Rot. Bonds6

About Metopimazine

Metopimazine (PubChem CID 26388) has the molecular formula C22H27N3O3S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameMetopimazine
PubChem CID26388
Molecular FormulaC22H27N3O3S2
Molecular Weight445.61 g/mol
Exact Mass445.15
IUPAC Name1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2
InChIInChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
InChIKeyBQDBKDMTIJBJLA-UHFFFAOYSA-N
XLogP3.28
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

10-[2-(1-Methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide
CID 118753627
1-(Phenothiazine-10-carbonyl)piperidine-4-carboxamide
CID 1389785
6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one
CID 3374515
N-[3-(3,5-Dimethylpiperidin-1-YL)propyl]-2-{6-[(4-methylpiperidin-1-YL)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-YL}acetamide
CID 3491528
N-[3-(2-Methylpiperidin-1-YL)propyl]-2-{6-[(4-methylpiperidin-1-YL)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-YL}acetamide
CID 4101214
N-[3-(4-Methylpiperidin-1-YL)propyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-YL]acetamide
CID 4161892
2-(3-keto-6-piperidinosulfonyl-1,4-benzothiazin-4-yl)-N-(p-tolyl)acetamide
CID 20903141
6-[4-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl]sulfonyl-4H-1,4-benzothiazin-3-one
CID 20911799
3-[(2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-YL)sulfonyl]-N-[(4-methylphenyl)methyl]butanamide
CID 20911877
N-(3-Chlorophenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-YL)sulfonyl]piperidine-4-carboxamide
CID 20927368
N-(3,4-Dimethylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-YL)sulfonyl]piperidine-4-carboxamide
CID 20927396

Frequently Asked Questions

What is the IUPAC name of Metopimazine?
The IUPAC name of Metopimazine (CID 26388) is 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for Metopimazine?
The canonical SMILES for Metopimazine is CS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2.
What is the InChIKey of Metopimazine?
The InChIKey is BQDBKDMTIJBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26).
What are the key properties of Metopimazine?
Metopimazine has a molecular weight of 445.61 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Metopimazine is sourced from PubChem (CID 26388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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