cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

C16H19NO3S — CID 7239139

IUPACcyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESO=C1CSc2ccc(C(=O)OCC3CCCCC3)cc2N1
InChIInChI=1S/C16H19NO3S/c18-15-10-21-14-7-6-12(8-13(14)17-15)16(19)20-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18)
InChIKeyBDXOHAFDJVCKDA-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.47
Rot. Bonds3

About cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate (PubChem CID 7239139) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
PubChem CID7239139
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Namecyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESO=C1CSc2ccc(C(=O)OCC3CCCCC3)cc2N1
InChIInChI=1S/C16H19NO3S/c18-15-10-21-14-7-6-12(8-13(14)17-15)16(19)20-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18)
InChIKeyBDXOHAFDJVCKDA-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 47348563
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292106
(2-methylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16577438
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
CID 82494432
(2,5-dimethylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16506050
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239097
(3-methoxyphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 17454387
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 2480165
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160
(2-methoxy-5-methylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7627996
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16505941

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The IUPAC name of cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate (CID 7239139) is cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.
What is the SMILES notation for cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The canonical SMILES for cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate is O=C1CSc2ccc(C(=O)OCC3CCCCC3)cc2N1.
What is the InChIKey of cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The InChIKey is BDXOHAFDJVCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-15-10-21-14-7-6-12(8-13(14)17-15)16(19)20-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18).
What are the key properties of cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate is sourced from PubChem (CID 7239139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).