1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one

C14H16N2O3S — CID 15681540

IUPAC1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one
SMILESCCSc1nc2cc3c(cc2n1C(=O)CC)OCCO3
InChIInChI=1S/C14H16N2O3S/c1-3-13(17)16-10-8-12-11(18-5-6-19-12)7-9(10)15-14(16)20-4-2/h7-8H,3-6H2,1-2H3
InChIKeyPWBQXLFLNAHANC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one

1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one (PubChem CID 15681540) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one
PubChem CID15681540
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one
SMILESCCSc1nc2cc3c(cc2n1C(=O)CC)OCCO3
InChIInChI=1S/C14H16N2O3S/c1-3-13(17)16-10-8-12-11(18-5-6-19-12)7-9(10)15-14(16)20-4-2/h7-8H,3-6H2,1-2H3
InChIKeyPWBQXLFLNAHANC-UHFFFAOYSA-N
XLogP2.97
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one 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-(2-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butanoic acid
CID 82145806
3-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propanoic acid
CID 84615011
4-[(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)sulfanyl]butanenitrile
CID 84617164
2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide
CID 82359264
methyl 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butanoate
CID 82359273
2-(2-phenyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetic acid
CID 94748982
1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145800
N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
CID 82150232
3-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propan-1-ol
CID 84617351
1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145845
2-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanol
CID 82149428
N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide
CID 12061902

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one?
The IUPAC name of 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one (CID 15681540) is 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one is CCSc1nc2cc3c(cc2n1C(=O)CC)OCCO3.
What is the InChIKey of 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one?
The InChIKey is PWBQXLFLNAHANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-13(17)16-10-8-12-11(18-5-6-19-12)7-9(10)15-14(16)20-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one?
1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one has a molecular weight of 292.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-one is sourced from PubChem (CID 15681540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).