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

C20H24N2OS — CID 67042165

IUPAC1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIInChI=1S/C20H24N2OS/c1-14(21(3)4)13-22-17-7-5-6-8-19(17)24-20-10-9-16(11-15(2)23)12-18(20)22/h5-10,12,14H,11,13H2,1-4H3
InChIKeyMXGVCQVNPQIHQI-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.37
Rot. Bonds5

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

1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one (PubChem CID 67042165) 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-2-one.

Molecular Properties

Compound Name1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one
PubChem CID67042165
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIInChI=1S/C20H24N2OS/c1-14(21(3)4)13-22-17-7-5-6-8-19(17)24-20-10-9-16(11-15(2)23)12-18(20)22/h5-10,12,14H,11,13H2,1-4H3
InChIKeyMXGVCQVNPQIHQI-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
CID 68867493
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
CID 138399821
ethyl 2-[7-chloro-10-[2-(dimethylamino)propyl]phenothiazin-2-yl]acetate
CID 14278854
N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine
CID 46219426
methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate
CID 14257642
1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]propan-1-one
CID 23276631
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]ethanone;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 159357848
benzoic acid;N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
CID 175196790
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
CID 23615719
N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydron;chloride
CID 74763974
1-phenoxathiin-3-ylpropan-2-one
CID 170962593
2-[10-[2-(dimethylamino)ethyl]-7-fluorophenothiazin-2-yl]acetic acid;2-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]-2-methylpropanoic acid;2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-methylpropanoic acid;2-methyl-2-[10-(3-pyrrolidin-1-ylpropyl)phenothiazin-2-yl]propanoic acid
CID 173423961

Frequently Asked Questions

What is the IUPAC name of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one?
The IUPAC name of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one (CID 67042165) is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one.
What is the SMILES notation for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one?
The canonical SMILES for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one is CC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.
What is the InChIKey of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one?
The InChIKey is MXGVCQVNPQIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14(21(3)4)13-22-17-7-5-6-8-19(17)24-20-10-9-16(11-15(2)23)12-18(20)22/h5-10,12,14H,11,13H2,1-4H3.
What are the key properties of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one?
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one has a molecular weight of 340.49 g/mol, XLogP of 4.37, 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-2-one is sourced from PubChem (CID 67042165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).