5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide

C11H9NO2S2 — CID 67848766

IUPAC5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide
SMILESO=S1(=O)Nc2ccccc2Cc2sccc21
InChIInChI=1S/C11H9NO2S2/c13-16(14)11-5-6-15-10(11)7-8-3-1-2-4-9(8)12-16/h1-6,12H,7H2
InChIKeyOCSUDTOOVUVDAW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.45
Rot. Bonds

About 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide

5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide (PubChem CID 67848766) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide.

Molecular Properties

Compound Name5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide
PubChem CID67848766
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide
SMILESO=S1(=O)Nc2ccccc2Cc2sccc21
InChIInChI=1S/C11H9NO2S2/c13-16(14)11-5-6-15-10(11)7-8-3-1-2-4-9(8)12-16/h1-6,12H,7H2
InChIKeyOCSUDTOOVUVDAW-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54266090
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5,5-dioxo-6H-benzo[c][1,2]benzothiazepin-11-one
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5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide
CID 13352854
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
ethane;2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 91474552
1,3-dihydroindol-2-one;ethane
CID 54350510
2,3-dihydroxy-11,11-dioxo-6H-benzo[b][1]benzothiepin-5-one
CID 18340927
6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene
CID 10572245
2-chloro-5,11-dihydropyrido[3,4-c][1,2,5]benzothiadiazepine 6,6-dioxide
CID 118352353
5,7,12,14-tetrahydroquinolino[3,2-b]acridine
CID 158918196
1λ6,3λ6,2-benzodithiazole 1,1,3,3-tetraoxide
CID 10500043

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide?
The IUPAC name of 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide (CID 67848766) is 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide.
What is the SMILES notation for 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide?
The canonical SMILES for 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide is O=S1(=O)Nc2ccccc2Cc2sccc21.
What is the InChIKey of 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide?
The InChIKey is OCSUDTOOVUVDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c13-16(14)11-5-6-15-10(11)7-8-3-1-2-4-9(8)12-16/h1-6,12H,7H2.
What are the key properties of 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide?
5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide has a molecular weight of 251.33 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydrothieno[3,2-c][2,1]benzothiazepine 4,4-dioxide is sourced from PubChem (CID 67848766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).