2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide

C14H16N2O4S — CID 104520286

IUPAC2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C14H16N2O4S/c17-21(18)6-2-1-3-13(21)14-15-9-7-11-12(8-10(9)16-14)20-5-4-19-11/h7-8,13H,1-6H2,(H,15,16)
InChIKeySZCZZUUMIGQHTO-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.97
Rot. Bonds1

About 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide (PubChem CID 104520286) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide
PubChem CID104520286
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C14H16N2O4S/c17-21(18)6-2-1-3-13(21)14-15-9-7-11-12(8-10(9)16-14)20-5-4-19-11/h7-8,13H,1-6H2,(H,15,16)
InChIKeySZCZZUUMIGQHTO-UHFFFAOYSA-N
XLogP1.97
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520297
2-(6-ethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520336
2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 55151063
2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 66477298
2-(oxolan-2-yl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168748
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 86637334
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551600
3-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)cyclohexan-1-amine
CID 63044200
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 83154943
2-methyl-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 18525449
1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole-2-carbaldehyde
CID 63771989

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide?
The IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide (CID 104520286) is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide is O=S1(=O)CCCCC1c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide?
The InChIKey is SZCZZUUMIGQHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-21(18)6-2-1-3-13(21)14-15-9-7-11-12(8-10(9)16-14)20-5-4-19-11/h7-8,13H,1-6H2,(H,15,16).
What are the key properties of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide?
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide has a molecular weight of 308.36 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 104520286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).