1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C15H20N2O4S2 — CID 22550721

IUPAC1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC(=O)N1CC(C)Sc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C15H20N2O4S2/c1-11-10-17(12(2)18)14-9-13(3-4-15(14)22-11)23(19,20)16-5-7-21-8-6-16/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyPEUKSAVULNXQHZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.55
Rot. Bonds2

About 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 22550721) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID22550721
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC(=O)N1CC(C)Sc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C15H20N2O4S2/c1-11-10-17(12(2)18)14-9-13(3-4-15(14)22-11)23(19,20)16-5-7-21-8-6-16/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyPEUKSAVULNXQHZ-UHFFFAOYSA-N
XLogP1.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 22550711
1-(2-methyl-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 126458902
1-[2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 22550697
4-acetyl-2-methyl-N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22550690
1-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 110647609
1-[7-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 126458753
ethyl 1-[[(2S)-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydro-1,4-benzothiazin-6-yl]sulfonyl]piperidine-4-carboxylate
CID 92864593
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283552
1-[6-[(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 20969858
4-acetyl-N-(3-acetylphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22550694
4-acetyl-N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22550677
(2R)-4-acetyl-N-(4-ethoxyphenyl)-N,2-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 92864532

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 22550721) is 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is CC(=O)N1CC(C)Sc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is PEUKSAVULNXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-11-10-17(12(2)18)14-9-13(3-4-15(14)22-11)23(19,20)16-5-7-21-8-6-16/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 22550721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).