cyclohexyl phenothiazine-10-carboxylate

C19H19NO2S — CID 139765557

IUPACcyclohexyl phenothiazine-10-carboxylate
SMILESO=C(OC1CCCCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H19NO2S/c21-19(22-14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h4-7,10-14H,1-3,8-9H2
InChIKeyQJSCKVFVASDDJQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.76
Rot. Bonds1

About cyclohexyl phenothiazine-10-carboxylate

cyclohexyl phenothiazine-10-carboxylate (PubChem CID 139765557) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is cyclohexyl phenothiazine-10-carboxylate.

Molecular Properties

Compound Namecyclohexyl phenothiazine-10-carboxylate
PubChem CID139765557
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Namecyclohexyl phenothiazine-10-carboxylate
SMILESO=C(OC1CCCCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H19NO2S/c21-19(22-14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h4-7,10-14H,1-3,8-9H2
InChIKeyQJSCKVFVASDDJQ-UHFFFAOYSA-N
XLogP5.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
CID 3048139
(2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate
CID 2092512
methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate
CID 23521306
2-(3-oxo-3-phenothiazin-10-ylpropyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2891453
1-(phenothiazine-10-carbonyl)piperidine-3-carboxamide
CID 19056988
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-phenothiazin-10-ylethanone
CID 54587102
(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
CID 714968
(2-oxo-2-phenothiazin-10-ylethyl) 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 4257948
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 2417720
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
dicyclohexyl 2-phenylpropanedioate
CID 130210180
1-phenothiazin-10-yl-2-pyrrolidin-1-ium-1-ylethanone
CID 6955810

Frequently Asked Questions

What is the IUPAC name of cyclohexyl phenothiazine-10-carboxylate?
The IUPAC name of cyclohexyl phenothiazine-10-carboxylate (CID 139765557) is cyclohexyl phenothiazine-10-carboxylate.
What is the SMILES notation for cyclohexyl phenothiazine-10-carboxylate?
The canonical SMILES for cyclohexyl phenothiazine-10-carboxylate is O=C(OC1CCCCC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of cyclohexyl phenothiazine-10-carboxylate?
The InChIKey is QJSCKVFVASDDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c21-19(22-14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h4-7,10-14H,1-3,8-9H2.
What are the key properties of cyclohexyl phenothiazine-10-carboxylate?
cyclohexyl phenothiazine-10-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl phenothiazine-10-carboxylate is sourced from PubChem (CID 139765557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).