1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone

C13H14O5S — CID 64643185

IUPAC1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C13H14O5S/c14-11(9-1-2-9)8-19(15,16)10-3-4-12-13(7-10)18-6-5-17-12/h3-4,7,9H,1-2,5-6,8H2
InChIKeyRTYRJRKUWCBUIB-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.21
Rot. Bonds4

About 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone

1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone (PubChem CID 64643185) has the molecular formula C13H14O5S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone
PubChem CID64643185
Molecular FormulaC13H14O5S
Molecular Weight282.32 g/mol
Exact Mass282.06
IUPAC Name1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C13H14O5S/c14-11(9-1-2-9)8-19(15,16)10-3-4-12-13(7-10)18-6-5-17-12/h3-4,7,9H,1-2,5-6,8H2
InChIKeyRTYRJRKUWCBUIB-UHFFFAOYSA-N
XLogP1.21
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone 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

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid
CID 6496750
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94027492
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)cyclopropanamine
CID 117036428
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide
CID 8523809
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanone
CID 115479414
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylethanone
CID 2738487
N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 119475033
3-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)but-2-enamide
CID 126802014
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate
CID 43132437
2-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 975410
3-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)butan-1-ol
CID 64899275

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone (CID 64643185) is 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone is O=C(CS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone?
The InChIKey is RTYRJRKUWCBUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5S/c14-11(9-1-2-9)8-19(15,16)10-3-4-12-13(7-10)18-6-5-17-12/h3-4,7,9H,1-2,5-6,8H2.
What are the key properties of 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone?
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone has a molecular weight of 282.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethanone is sourced from PubChem (CID 64643185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).