1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane

C8H17O8S3- — CID 153470172

IUPAC1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane
SMILESCOCCS(=O)(=O)[C-](S(C)(=O)=O)S(=O)(=O)CCOC
InChIInChI=1S/C8H17O8S3/c1-15-4-6-18(11,12)8(17(3,9)10)19(13,14)7-5-16-2/h4-7H2,1-3H3/q-1
InChIKeyWTAAARKJHYZJBP-UHFFFAOYSA-N
MW337.42 g/mol
LogP-1.40
Rot. Bonds9

About 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane

1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane (PubChem CID 153470172) has the molecular formula C8H17O8S3- and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane.

Molecular Properties

Compound Name1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane
PubChem CID153470172
Molecular FormulaC8H17O8S3-
Molecular Weight337.42 g/mol
Exact Mass337.01
IUPAC Name1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane
SMILESCOCCS(=O)(=O)[C-](S(C)(=O)=O)S(=O)(=O)CCOC
InChIInChI=1S/C8H17O8S3/c1-15-4-6-18(11,12)8(17(3,9)10)19(13,14)7-5-16-2/h4-7H2,1-3H3/q-1
InChIKeyWTAAARKJHYZJBP-UHFFFAOYSA-N
XLogP-1.40
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane 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-methoxyethanesulfonyl chloride
CID 13480221
2-methoxyethanesulfonamide;hydrofluoride
CID 18951505
1-bromo-4-(2-methoxyethylsulfonyl)butane
CID 43445961
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
2-methoxy-N-methylethanesulfonamide;molecular hydrogen
CID 176928955
N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
CID 114294443
3-(2-methoxyethylsulfonyl)-N-methylbutan-2-amine
CID 64646902
2-(2-methoxyethylsulfonyl)-N-methylethanamine
CID 64646513
3-methoxypropane-1-sulfonamide
CID 22737399
methyl 3-methoxypropane-1-sulfonate
CID 59109575
3-methoxypropane-1-sulfonyl fluoride
CID 46899852
3-methoxypropyl methanesulfonate
CID 11693963

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane?
The IUPAC name of 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane (CID 153470172) is 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane.
What is the SMILES notation for 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane?
The canonical SMILES for 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane is COCCS(=O)(=O)[C-](S(C)(=O)=O)S(=O)(=O)CCOC.
What is the InChIKey of 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane?
The InChIKey is WTAAARKJHYZJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O8S3/c1-15-4-6-18(11,12)8(17(3,9)10)19(13,14)7-5-16-2/h4-7H2,1-3H3/q-1.
What are the key properties of 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane?
1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane has a molecular weight of 337.42 g/mol, XLogP of -1.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[2-methoxyethylsulfonyl(methylsulfonyl)methyl]sulfonylethane is sourced from PubChem (CID 153470172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).