2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone

C15H19N3O4S — CID 55612739

IUPAC2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone
SMILESCC1COCCN1C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H19N3O4S/c1-11-10-22-8-7-18(11)14(19)9-17(2)15-12-5-3-4-6-13(12)23(20,21)16-15/h3-6,11H,7-10H2,1-2H3
InChIKeyXAXCGZWOTSDBGY-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.31
Rot. Bonds2

About 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone (PubChem CID 55612739) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone
PubChem CID55612739
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone
SMILESCC1COCCN1C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H19N3O4S/c1-11-10-22-8-7-18(11)14(19)9-17(2)15-12-5-3-4-6-13(12)23(20,21)16-15/h3-6,11H,7-10H2,1-2H3
InChIKeyXAXCGZWOTSDBGY-UHFFFAOYSA-N
XLogP0.31
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone with MolForge

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Related Compounds

3-(4-Isobutyryl-1-piperazinyl)-1,2-benzisothiazole 1,1-dioxide
CID 685567
1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one
CID 742754
3-Morpholin-4-yl-benzo[d]isothiazole 1,1-dioxide
CID 433486
2-methyl-N-[4-morpholinyl(phenyl)methylene]benzenesulfonamide
CID 5641485
S7AR22YC9N
CID 15169816
[1-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 16262670
2-[(1,1-Dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 45796007
3-[[2-(allyloxy)ethyl](methyl)amino]-1H-1,2-benzisothiazole-1,1-dione
CID 3127022
ethyl N-(1,1-dioxido-1,2-benzisothiazol-3-yl)-N-methylglycinate
CID 892516
2-[4-(1,1-Dioxido-1,2-benzisothiazol-3-YL)piperazin-1-YL]ethanol
CID 2056659
3-(2,6-Dimethylmorpholin-4-yl)-1,2-benzothiazole 1,1-dioxide
CID 2915593
2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 2147213

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone (CID 55612739) is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone is CC1COCCN1C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone?
The InChIKey is XAXCGZWOTSDBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11-10-22-8-7-18(11)14(19)9-17(2)15-12-5-3-4-6-13(12)23(20,21)16-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone?
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone has a molecular weight of 337.40 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 55612739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).