4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

C15H20N4O4S3 — CID 167882512

IUPAC4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1
InChIInChI=1S/C15H20N4O4S3/c20-25(21)10-8-18(9-11-25)12-4-6-19(7-5-12)26(22,23)14-3-1-2-13-15(14)17-24-16-13/h1-3,12H,4-11H2
InChIKeyXWLCJSIOGLJXBY-UHFFFAOYSA-N
MW416.55 g/mol
LogP0.57
Rot. Bonds3

About 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 167882512) has the molecular formula C15H20N4O4S3 and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID167882512
Molecular FormulaC15H20N4O4S3
Molecular Weight416.55 g/mol
Exact Mass416.06
IUPAC Name4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1
InChIInChI=1S/C15H20N4O4S3/c20-25(21)10-8-18(9-11-25)12-4-6-19(7-5-12)26(22,23)14-3-1-2-13-15(14)17-24-16-13/h1-3,12H,4-11H2
InChIKeyXWLCJSIOGLJXBY-UHFFFAOYSA-N
XLogP0.57
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 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

N-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737430
(3S,4S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3,4-diol
CID 56898413
4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 22585591
trans-(1R,2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]cyclohexan-1-ol
CID 155959795
4-[[4-(oxolan-3-yl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole
CID 134161234
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300390
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-phenylmethanone
CID 55488622
azepan-1-yl-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]methanone
CID 20853463
4-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 45177143
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 15994845
methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 4990985
(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-amine
CID 102977572

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 167882512) is 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1.
What is the InChIKey of 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is XWLCJSIOGLJXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S3/c20-25(21)10-8-18(9-11-25)12-4-6-19(7-5-12)26(22,23)14-3-1-2-13-15(14)17-24-16-13/h1-3,12H,4-11H2.
What are the key properties of 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 416.55 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167882512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).