2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

C13H18N2O4S — CID 139664353

IUPAC2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCCCCN1C(=O)N(C)c2cc(OC)ccc2S1(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-4-5-8-15-13(16)14(2)11-9-10(19-3)6-7-12(11)20(15,17)18/h6-7,9H,4-5,8H2,1-3H3
InChIKeyIUQPFPYZJPHRSA-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.06
Rot. Bonds4

About 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 139664353) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
PubChem CID139664353
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCCCCN1C(=O)N(C)c2cc(OC)ccc2S1(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-4-5-8-15-13(16)14(2)11-9-10(19-3)6-7-12(11)20(15,17)18/h6-7,9H,4-5,8H2,1-3H3
InChIKeyIUQPFPYZJPHRSA-UHFFFAOYSA-N
XLogP2.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one 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

6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one
CID 19872578
methyl 2-[4-(6-methoxy-4-methyl-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-2-yl)phenyl]acetate
CID 19834943
6-methoxy-4-methyl-1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1λ6,2,4-benzothiadiazin-3-one
CID 19872468
2-[(4-chlorophenyl)methyl]-4-methyl-1,1-dioxo-6-propan-2-yloxy-1λ6,2,4-benzothiadiazin-3-one
CID 19872525
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
3-butyl-7-methoxy-2-methyl-5-phenyl-3,4-dihydro-1λ6,2,5-benzothiadiazepine 1,1-dioxide
CID 175983628
3-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-one
CID 53399792
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione
CID 68674815
3-butylsulfanyl-7-methoxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 82213681
6-amino-1,1-dioxo-2-pentyl-1,2-benzothiazol-3-one
CID 55091278
9-butyl-3-methoxycarbazole
CID 132503458

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (CID 139664353) is 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is CCCCN1C(=O)N(C)c2cc(OC)ccc2S1(=O)=O.
What is the InChIKey of 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is IUQPFPYZJPHRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-5-8-15-13(16)14(2)11-9-10(19-3)6-7-12(11)20(15,17)18/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 298.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 139664353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).