5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole

C17H18O5S — CID 10711770

IUPAC5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole
SMILESCOc1ccc(CS(=O)Cc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C17H18O5S/c1-19-14-5-3-12(7-16(14)20-2)9-23(18)10-13-4-6-15-17(8-13)22-11-21-15/h3-8H,9-11H2,1-2H3
InChIKeyOPADIJDNFMOXQX-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.88
Rot. Bonds6

About 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole

5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole (PubChem CID 10711770) has the molecular formula C17H18O5S and a molecular weight of 334.39 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole
PubChem CID10711770
Molecular FormulaC17H18O5S
Molecular Weight334.39 g/mol
Exact Mass334.09
IUPAC Name5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole
SMILESCOc1ccc(CS(=O)Cc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C17H18O5S/c1-19-14-5-3-12(7-16(14)20-2)9-23(18)10-13-4-6-15-17(8-13)22-11-21-15/h3-8H,9-11H2,1-2H3
InChIKeyOPADIJDNFMOXQX-UHFFFAOYSA-N
XLogP2.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole 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

5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene
CID 10595940
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
CID 14137606
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860350
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 111214767
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2436664
6-[(3,4-dimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol
CID 71517955
2-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 110824956
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propan-1-amine
CID 127051482

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole (CID 10711770) is 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole is COc1ccc(CS(=O)Cc2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole?
The InChIKey is OPADIJDNFMOXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5S/c1-19-14-5-3-12(7-16(14)20-2)9-23(18)10-13-4-6-15-17(8-13)22-11-21-15/h3-8H,9-11H2,1-2H3.
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole?
5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole has a molecular weight of 334.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole is sourced from PubChem (CID 10711770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).