methyl phenothiazine-10-carboxylate

C14H11NO2S — CID 3107576

IUPACmethyl phenothiazine-10-carboxylate
SMILESCOC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C14H11NO2S/c1-17-14(16)15-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)15/h2-9H,1H3
InChIKeyWWHYODNLUNCVDI-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.06
Rot. Bonds

About methyl phenothiazine-10-carboxylate

methyl phenothiazine-10-carboxylate (PubChem CID 3107576) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl phenothiazine-10-carboxylate.

Molecular Properties

Compound Namemethyl phenothiazine-10-carboxylate
PubChem CID3107576
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Namemethyl phenothiazine-10-carboxylate
SMILESCOC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C14H11NO2S/c1-17-14(16)15-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)15/h2-9H,1H3
InChIKeyWWHYODNLUNCVDI-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl phenothiazine-10-carboxylate?
The IUPAC name of methyl phenothiazine-10-carboxylate (CID 3107576) is methyl phenothiazine-10-carboxylate.
What is the SMILES notation for methyl phenothiazine-10-carboxylate?
The canonical SMILES for methyl phenothiazine-10-carboxylate is COC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of methyl phenothiazine-10-carboxylate?
The InChIKey is WWHYODNLUNCVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-14(16)15-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)15/h2-9H,1H3.
What are the key properties of methyl phenothiazine-10-carboxylate?
methyl phenothiazine-10-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl phenothiazine-10-carboxylate is sourced from PubChem (CID 3107576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).