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Methopromazine

C18H22N2OS — CID 18847

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

IUPAC3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyBRABPYPSZVCCLR-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.25
Rot. Bonds5

About Methopromazine

Methopromazine (PubChem CID 18847) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound NameMethopromazine
PubChem CID18847
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyBRABPYPSZVCCLR-UHFFFAOYSA-N
XLogP4.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenothiazin-10-yl]-N,N-dimethylpropan-1-amine
CID 10570197
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 158795285
10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
CID 57369155
N,N-dimethyl-2-phenothiazin-10-ylethanamine;iodomethane
CID 23622918
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
CID 53298655
3-(2-chlorophenothiazin-10-yl)-N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 58600270
N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine
CID 15129039
[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium
CID 6919170
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
(Z)-but-2-enedioate;1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
CID 20838698
but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 53395205
(Z)-but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 6420056

Frequently Asked Questions

What is the IUPAC name of Methopromazine?
The IUPAC name of Methopromazine (CID 18847) is 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for Methopromazine?
The canonical SMILES for Methopromazine is COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.
What is the InChIKey of Methopromazine?
The InChIKey is BRABPYPSZVCCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of Methopromazine?
Methopromazine has a molecular weight of 314.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methopromazine is sourced from PubChem (CID 18847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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