7-amino-4-cyclohexyl-1,4-benzothiazin-3-one

C14H18N2OS — CID 84615614

IUPAC7-amino-4-cyclohexyl-1,4-benzothiazin-3-one
SMILESNc1ccc2c(c1)SCC(=O)N2C1CCCCC1
InChIInChI=1S/C14H18N2OS/c15-10-6-7-12-13(8-10)18-9-14(17)16(12)11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2
InChIKeyYCGJDXQXFOTFOC-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.04
Rot. Bonds1

About 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one

7-amino-4-cyclohexyl-1,4-benzothiazin-3-one (PubChem CID 84615614) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-amino-4-cyclohexyl-1,4-benzothiazin-3-one
PubChem CID84615614
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name7-amino-4-cyclohexyl-1,4-benzothiazin-3-one
SMILESNc1ccc2c(c1)SCC(=O)N2C1CCCCC1
InChIInChI=1S/C14H18N2OS/c15-10-6-7-12-13(8-10)18-9-14(17)16(12)11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2
InChIKeyYCGJDXQXFOTFOC-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyl-3-oxo-1,4-benzothiazine-7-carbaldehyde
CID 84616119
4-cyclohexyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one
CID 84615366
6-amino-4-piperidin-3-yl-1,4-benzothiazin-3-one
CID 115118189
7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one
CID 84615562
5-amino-1-cyclopropyl-3H-indol-2-one;iron
CID 159753401
7-amino-4-(4-fluorophenyl)-1,4-benzothiazin-3-one
CID 66790832
7-amino-4-but-3-enyl-1,4-benzothiazin-3-one
CID 84615615
4-piperidin-4-yl-1,4-benzothiazin-3-one;hydrochloride
CID 22914728
6-amino-3-oxo-1,4-benzothiazine-4-carbonitrile
CID 117043158
5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one
CID 117039664
2-(6-amino-3-oxo-1,4-benzothiazin-4-yl)cyclopropane-1-carboxylic acid
CID 117042507
7-amino-4-[2-(diethylamino)ethyl]-1,4-benzothiazin-3-one
CID 84615606

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one?
The IUPAC name of 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one (CID 84615614) is 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one?
The canonical SMILES for 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one is Nc1ccc2c(c1)SCC(=O)N2C1CCCCC1.
What is the InChIKey of 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one?
The InChIKey is YCGJDXQXFOTFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-10-6-7-12-13(8-10)18-9-14(17)16(12)11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2.
What are the key properties of 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one?
7-amino-4-cyclohexyl-1,4-benzothiazin-3-one has a molecular weight of 262.38 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-cyclohexyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).