7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide

C11H15NO3S — CID 84630049

IUPAC7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)C(C)(C)CN2
InChIInChI=1S/C11H15NO3S/c1-11(2)7-12-9-5-4-8(15-3)6-10(9)16(11,13)14/h4-6,12H,7H2,1-3H3
InChIKeyFLFJGLFQLXOWTN-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.67
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide

7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84630049) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84630049
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)C(C)(C)CN2
InChIInChI=1S/C11H15NO3S/c1-11(2)7-12-9-5-4-8(15-3)6-10(9)16(11,13)14/h4-6,12H,7H2,1-3H3
InChIKeyFLFJGLFQLXOWTN-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide 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

7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84632106
8-methoxyspiro[4,5-dihydro-2H-1λ6,5-benzothiazepine-3,1'-cyclohexane] 1,1-dioxide
CID 115099872
5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole
CID 169244448
7-methoxyspiro[4,5-dihydro-2H-1λ6,5-benzothiazepine-3,1'-cyclohexane] 1,1-dioxide
CID 115099820
3,3-diethyl-7-methoxy-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308841
8-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]
CID 115099661
3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
CID 84720514
4-methoxy-7λ6-thiabicyclo[4.2.0]octa-1(6),2,4-triene 7,7-dioxide
CID 70427650
5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole
CID 174764020
7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
CID 82278075
7-methoxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095138
8-methoxyspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclohexane]
CID 115099862

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide (CID 84630049) is 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide is COc1ccc2c(c1)S(=O)(=O)C(C)(C)CN2.
What is the InChIKey of 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is FLFJGLFQLXOWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2)7-12-9-5-4-8(15-3)6-10(9)16(11,13)14/h4-6,12H,7H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 241.31 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84630049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).