6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine

C20H25N3O3S2 — CID 46283484

IUPAC6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C)CCS4)CC2)c1
InChIInChI=1S/C20H25N3O3S2/c1-21-12-13-27-20-7-6-18(15-19(20)21)28(24,25)23-10-8-22(9-11-23)16-4-3-5-17(14-16)26-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyFCWRWCGXCVBRKT-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.75
Rot. Bonds4

About 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine

6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 46283484) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine
PubChem CID46283484
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C)CCS4)CC2)c1
InChIInChI=1S/C20H25N3O3S2/c1-21-12-13-27-20-7-6-18(15-19(20)21)28(24,25)23-10-8-22(9-11-23)16-4-3-5-17(14-16)26-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyFCWRWCGXCVBRKT-UHFFFAOYSA-N
XLogP2.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
7-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4H-1,4-benzothiazin-3-one
CID 126458768
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168465
1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 46557463
1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283512
1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442045
N-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 46283483
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(4-methoxyphenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 55559198
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine (CID 46283484) is 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine is COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C)CCS4)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is FCWRWCGXCVBRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-21-12-13-27-20-7-6-18(15-19(20)21)28(24,25)23-10-8-22(9-11-23)16-4-3-5-17(14-16)26-2/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine?
6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 419.57 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 46283484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).