2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

C14H18N2O4S — CID 19834912

IUPAC2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)N(C2CCCCC2)S(=O)(=O)c2ccc(O)cc21
InChIInChI=1S/C14H18N2O4S/c1-15-12-9-11(17)7-8-13(12)21(19,20)16(14(15)18)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3
InChIKeyCNCPZCPHGOIGSN-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.29
Rot. Bonds1

About 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 19834912) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
PubChem CID19834912
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)N(C2CCCCC2)S(=O)(=O)c2ccc(O)cc21
InChIInChI=1S/C14H18N2O4S/c1-15-12-9-11(17)7-8-13(12)21(19,20)16(14(15)18)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3
InChIKeyCNCPZCPHGOIGSN-UHFFFAOYSA-N
XLogP2.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (CID 19834912) is 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is CN1C(=O)N(C2CCCCC2)S(=O)(=O)c2ccc(O)cc21.
What is the InChIKey of 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is CNCPZCPHGOIGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-15-12-9-11(17)7-8-13(12)21(19,20)16(14(15)18)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 310.38 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-hydroxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 19834912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).