4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide

C15H22N2O3S2 — CID 46283550

IUPAC4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2
InChIInChI=1S/C15H22N2O3S2/c1-4-5-8-16(3)22(19,20)13-6-7-15-14(11-13)17(12(2)18)9-10-21-15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyLKCBUYCZTMHFPT-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.57
Rot. Bonds5

About 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide

4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide (PubChem CID 46283550) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound Name4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
PubChem CID46283550
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2
InChIInChI=1S/C15H22N2O3S2/c1-4-5-8-16(3)22(19,20)13-6-7-15-14(11-13)17(12(2)18)9-10-21-15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyLKCBUYCZTMHFPT-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide 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

4-acetyl-N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 46283610
1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361610
1-[6-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283508
4-acetyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 46283609
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283552
4-acetyl-N-(4-acetylphenyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549916
ethyl 4-[(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)sulfonylamino]benzoate
CID 46283531
4-acetyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549985
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55590262
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549929
1-[7-[4-[(2S)-pentan-2-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone
CID 95072058

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide (CID 46283550) is 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide is CCCCN(C)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2.
What is the InChIKey of 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The InChIKey is LKCBUYCZTMHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-4-5-8-16(3)22(19,20)13-6-7-15-14(11-13)17(12(2)18)9-10-21-15/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide has a molecular weight of 342.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 46283550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).