1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one

C20H24N2OS — CID 4940

IUPAC1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIInChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3
InChIKeyUVOIBTBFPOZKGP-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.83
Rot. Bonds5

About 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one

1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one (PubChem CID 4940) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
PubChem CID4940
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIInChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3
InChIKeyUVOIBTBFPOZKGP-UHFFFAOYSA-N
XLogP4.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Acepromazine
CID 6077
Butaperazine
CID 12598
Piperacetazine
CID 19675
Carphenazine
CID 18104
Acepromazine Maleate
CID 6420038
Propionylpromazine
CID 24352
Aceprometazine
CID 26035
Acetophenazine
CID 17676
Acetophenazine Maleate
CID 5281082
Propiomazine Hydrochloride
CID 71802
Carphenazine Maleate
CID 6433356
2-Acetylphenothiazine
CID 81131

Frequently Asked Questions

What is the IUPAC name of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one?
The IUPAC name of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one (CID 4940) is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one.
What is the SMILES notation for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one?
The canonical SMILES for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one is CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.
What is the InChIKey of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one?
The InChIKey is UVOIBTBFPOZKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3.
What are the key properties of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one?
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one has a molecular weight of 340.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one is sourced from PubChem (CID 4940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).