2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide

C13H18N2O3S — CID 142740743

IUPAC2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccccc2CN1CCN1CCOCC1
InChIInChI=1S/C13H18N2O3S/c16-19(17)13-4-2-1-3-12(13)11-15(19)6-5-14-7-9-18-10-8-14/h1-4H,5-11H2
InChIKeyDSBVKILDPYFBFI-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.52
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide

2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 142740743) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID142740743
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccccc2CN1CCN1CCOCC1
InChIInChI=1S/C13H18N2O3S/c16-19(17)13-4-2-1-3-12(13)11-15(19)6-5-14-7-9-18-10-8-14/h1-4H,5-11H2
InChIKeyDSBVKILDPYFBFI-UHFFFAOYSA-N
XLogP0.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
CID 19074376
2-(6-bromohexyl)-3H-1,2-benzothiazole 1,1-dioxide
CID 139725511
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
CID 162628333
4-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-3,5-dihydro-2H-1λ6,4-benzothiazepine 1,1-dioxide
CID 124625086
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602413
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine
CID 122657652
2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid
CID 92966056
N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522982
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide (CID 142740743) is 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide is O=S1(=O)c2ccccc2CN1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is DSBVKILDPYFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-19(17)13-4-2-1-3-12(13)11-15(19)6-5-14-7-9-18-10-8-14/h1-4H,5-11H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide?
2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 282.36 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 142740743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).