6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine

C17H20N4O2S2 — CID 46283650

IUPAC6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESO=S(=O)(c1ccc2c(c1)NCCS2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20N4O2S2/c22-25(23,14-4-5-16-15(13-14)18-7-12-24-16)21-10-8-20(9-11-21)17-3-1-2-6-19-17/h1-6,13,18H,7-12H2
InChIKeyPEWZJBNYQPYSBP-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.11
Rot. Bonds3

About 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine

6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 46283650) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID46283650
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESO=S(=O)(c1ccc2c(c1)NCCS2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20N4O2S2/c22-25(23,14-4-5-16-15(13-14)18-7-12-24-16)21-10-8-20(9-11-21)17-3-1-2-6-19-17/h1-6,13,18H,7-12H2
InChIKeyPEWZJBNYQPYSBP-UHFFFAOYSA-N
XLogP2.11
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine 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-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 46335628
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
formic acid;1-(3-phenylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 172910349
1-[6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 3241021
1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3238399
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one
CID 23004574
[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134043588

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine (CID 46283650) is 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine is O=S(=O)(c1ccc2c(c1)NCCS2)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is PEWZJBNYQPYSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c22-25(23,14-4-5-16-15(13-14)18-7-12-24-16)21-10-8-20(9-11-21)17-3-1-2-6-19-17/h1-6,13,18H,7-12H2.
What are the key properties of 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine?
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 376.51 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 46283650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).