cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate

C16H19NO5S — CID 70382440

IUPACcyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
SMILESCN1C(C(=O)OC2CCCCC2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H19NO5S/c1-17-14(16(19)22-11-7-3-2-4-8-11)15(18)12-9-5-6-10-13(12)23(17,20)21/h5-6,9-11,18H,2-4,7-8H2,1H3
InChIKeyGRTDBBMKDSLOAL-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.42
Rot. Bonds2

About cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate

cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate (PubChem CID 70382440) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
PubChem CID70382440
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Namecyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
SMILESCN1C(C(=O)OC2CCCCC2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H19NO5S/c1-17-14(16(19)22-11-7-3-2-4-8-11)15(18)12-9-5-6-10-13(12)23(17,20)21/h5-6,9-11,18H,2-4,7-8H2,1H3
InChIKeyGRTDBBMKDSLOAL-UHFFFAOYSA-N
XLogP2.42
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate?
The IUPAC name of cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate (CID 70382440) is cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate.
What is the SMILES notation for cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate?
The canonical SMILES for cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate is CN1C(C(=O)OC2CCCCC2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate?
The InChIKey is GRTDBBMKDSLOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-17-14(16(19)22-11-7-3-2-4-8-11)15(18)12-9-5-6-10-13(12)23(17,20)21/h5-6,9-11,18H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate?
cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate is sourced from PubChem (CID 70382440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).