2-(dimethylamino)ethyl phenothiazine-10-carboxylate

C17H18N2O2S — CID 24841476

IUPAC2-(dimethylamino)ethyl phenothiazine-10-carboxylate
SMILESCN(C)CCOC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2O2S/c1-18(2)11-12-21-17(20)19-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)19/h3-10H,11-12H2,1-2H3
InChIKeyZIARRZALKHUHAH-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.99
Rot. Bonds3

About 2-(dimethylamino)ethyl phenothiazine-10-carboxylate

2-(dimethylamino)ethyl phenothiazine-10-carboxylate (PubChem CID 24841476) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl phenothiazine-10-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl phenothiazine-10-carboxylate
PubChem CID24841476
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(dimethylamino)ethyl phenothiazine-10-carboxylate
SMILESCN(C)CCOC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2O2S/c1-18(2)11-12-21-17(20)19-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)19/h3-10H,11-12H2,1-2H3
InChIKeyZIARRZALKHUHAH-UHFFFAOYSA-N
XLogP3.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl phenothiazine-10-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl phenothiazine-10-carboxylate (CID 24841476) is 2-(dimethylamino)ethyl phenothiazine-10-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl phenothiazine-10-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl phenothiazine-10-carboxylate is CN(C)CCOC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(dimethylamino)ethyl phenothiazine-10-carboxylate?
The InChIKey is ZIARRZALKHUHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-18(2)11-12-21-17(20)19-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl phenothiazine-10-carboxylate?
2-(dimethylamino)ethyl phenothiazine-10-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl phenothiazine-10-carboxylate is sourced from PubChem (CID 24841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).