(2-oxocyclohexyl) phenothiazine-10-carboxylate

C19H17NO3S — CID 135010336

IUPAC(2-oxocyclohexyl) phenothiazine-10-carboxylate
SMILESO=C1CCCCC1OC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H17NO3S/c21-15-9-3-4-10-16(15)23-19(22)20-13-7-1-5-11-17(13)24-18-12-6-2-8-14(18)20/h1-2,5-8,11-12,16H,3-4,9-10H2
InChIKeyCSQOMONMAXOIED-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.94
Rot. Bonds1

About (2-oxocyclohexyl) phenothiazine-10-carboxylate

(2-oxocyclohexyl) phenothiazine-10-carboxylate (PubChem CID 135010336) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2-oxocyclohexyl) phenothiazine-10-carboxylate.

Molecular Properties

Compound Name(2-oxocyclohexyl) phenothiazine-10-carboxylate
PubChem CID135010336
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(2-oxocyclohexyl) phenothiazine-10-carboxylate
SMILESO=C1CCCCC1OC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H17NO3S/c21-15-9-3-4-10-16(15)23-19(22)20-13-7-1-5-11-17(13)24-18-12-6-2-8-14(18)20/h1-2,5-8,11-12,16H,3-4,9-10H2
InChIKeyCSQOMONMAXOIED-UHFFFAOYSA-N
XLogP4.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) phenothiazine-10-carboxylate?
The IUPAC name of (2-oxocyclohexyl) phenothiazine-10-carboxylate (CID 135010336) is (2-oxocyclohexyl) phenothiazine-10-carboxylate.
What is the SMILES notation for (2-oxocyclohexyl) phenothiazine-10-carboxylate?
The canonical SMILES for (2-oxocyclohexyl) phenothiazine-10-carboxylate is O=C1CCCCC1OC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxocyclohexyl) phenothiazine-10-carboxylate?
The InChIKey is CSQOMONMAXOIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-15-9-3-4-10-16(15)23-19(22)20-13-7-1-5-11-17(13)24-18-12-6-2-8-14(18)20/h1-2,5-8,11-12,16H,3-4,9-10H2.
What are the key properties of (2-oxocyclohexyl) phenothiazine-10-carboxylate?
(2-oxocyclohexyl) phenothiazine-10-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) phenothiazine-10-carboxylate is sourced from PubChem (CID 135010336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).