1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane

C9H13NO2S — CID 54266090

IUPAC1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane
SMILESCC.O=S1(=O)Cc2ccccc2N1
InChIInChI=1S/C7H7NO2S.C2H6/c9-11(10)5-6-3-1-2-4-7(6)8-11;1-2/h1-4,8H,5H2;1-2H3
InChIKeyRGWMXJBKUIPQED-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.97
Rot. Bonds

About 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane

1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane (PubChem CID 54266090) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane.

Molecular Properties

Compound Name1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane
PubChem CID54266090
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane
SMILESCC.O=S1(=O)Cc2ccccc2N1
InChIInChI=1S/C7H7NO2S.C2H6/c9-11(10)5-6-3-1-2-4-7(6)8-11;1-2/h1-4,8H,5H2;1-2H3
InChIKeyRGWMXJBKUIPQED-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5-tetrahydro-4λ6,1-benzothiazepine 4,4-dioxide;hydrochloride
CID 72942385
5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide
CID 67848766
1,3-dihydroindol-2-one;ethane
CID 54350510
4-ethyl-1,2,3,6-tetrahydro-5λ6,1,4-benzothiadiazocine 5,5-dioxide
CID 117015711
[2-(2-methylphenyl)-2-oxoethyl] 2,2-dioxo-1,3-dihydro-2,1-benzothiazole-6-carboxylate
CID 166370917
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
ethane;5,10,11,12-tetrahydrobenzo[b][1]benzazocine
CID 142101611
ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide
CID 176678082
9-methyl-6,11-dihydrobenzo[c][1,5]benzothiazepine 5,5-dioxide
CID 122641676
9-deuterio-9,10-dihydroacridine
CID 100991515
2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one
CID 91811905
ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane?
The IUPAC name of 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane (CID 54266090) is 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane.
What is the SMILES notation for 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane?
The canonical SMILES for 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane is CC.O=S1(=O)Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane?
The InChIKey is RGWMXJBKUIPQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S.C2H6/c9-11(10)5-6-3-1-2-4-7(6)8-11;1-2/h1-4,8H,5H2;1-2H3.
What are the key properties of 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane?
1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane has a molecular weight of 199.28 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane is sourced from PubChem (CID 54266090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).