4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde

C15H17NO2S — CID 84616119

IUPAC4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde
SMILESO=Cc1ccc2c(c1)SCC(=O)N2C1CCCCC1
InChIInChI=1S/C15H17NO2S/c17-9-11-6-7-13-14(8-11)19-10-15(18)16(13)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKeyAHFVDKMKSAEOSY-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.27
Rot. Bonds2

About 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde

4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde (PubChem CID 84616119) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde.

Molecular Properties

Compound Name4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde
PubChem CID84616119
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde
SMILESO=Cc1ccc2c(c1)SCC(=O)N2C1CCCCC1
InChIInChI=1S/C15H17NO2S/c17-9-11-6-7-13-14(8-11)19-10-15(18)16(13)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKeyAHFVDKMKSAEOSY-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

10H-Phenothiazine-3-carboxylic acid methylamide
CID 10634829
1-Propanone, 1-(10-(2-(dimethylamino)-1-methylethyl)-10H-phenothiazin-3-yl)-, hydrochloride (1:1)
CID 200111
6-Acetyl-4-benzyl-2-methyl-1,4-benzothiazin-3-one
CID 46944078
N-[4-(diethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4880246
N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide
CID 4105324
2,2,6,6-tetramethyl-4-(2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-7-carboxamido)piperidinium
CID 53326053
10-Ethylphenothiazine-3-carbaldehyde
CID 314330
10-Methylphenothiazine-3,7-dicarbaldehyde
CID 359358
10-Methyl-10H-phenothiazine-3-carbaldehyde
CID 617826
4-{[(3-hydroxy-2H-1,4-benzothiazin-2-yl)acetyl]amino}benzamide
CID 4784942
N-butan-2-yl-4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide
CID 45947436
2-Benzoyl-4-cycloheptyl-1,4-benzothiazin-3-one
CID 11726372

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde?
The IUPAC name of 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde (CID 84616119) is 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde.
What is the SMILES notation for 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde?
The canonical SMILES for 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde is O=Cc1ccc2c(c1)SCC(=O)N2C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde?
The InChIKey is AHFVDKMKSAEOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-9-11-6-7-13-14(8-11)19-10-15(18)16(13)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2.
What are the key properties of 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde?
4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde has a molecular weight of 275.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde is sourced from PubChem (CID 84616119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).