1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone

C19H22N2OS — CID 6077

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IUPAC1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyNOSIYYJFMPDDSA-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.44
Rot. Bonds5

About 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone

1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone (PubChem CID 6077) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
PubChem CID6077
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyNOSIYYJFMPDDSA-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propiomazine
CID 4940
Butaperazine
CID 12598
Piperacetazine
CID 19675
Carphenazine
CID 18104
Acepromazine Maleate
CID 6420038
Propionylpromazine
CID 24352
Aceprometazine
CID 26035
Acetophenazine
CID 17676
10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-
CID 94975
Acetophenazine Maleate
CID 5281082
Propiomazine Hydrochloride
CID 71802
Carphenazine Maleate
CID 6433356

Frequently Asked Questions

What is the IUPAC name of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone?
The IUPAC name of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone (CID 6077) is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone.
What is the SMILES notation for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone?
The canonical SMILES for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone is CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.
What is the InChIKey of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone?
The InChIKey is NOSIYYJFMPDDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone?
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone has a molecular weight of 326.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone is sourced from PubChem (CID 6077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).