[(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate

C7H16O6S2 — CID 10858216

IUPAC[(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate
SMILESC[C@H](CCOS(C)(=O)=O)COS(C)(=O)=O
InChIInChI=1S/C7H16O6S2/c1-7(6-13-15(3,10)11)4-5-12-14(2,8)9/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyWKRPDGJTXDSBTB-SSDOTTSWSA-N
MW260.33 g/mol
LogP-0.04
Rot. Bonds7

About [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate

[(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate (PubChem CID 10858216) has the molecular formula C7H16O6S2 and a molecular weight of 260.33 g/mol. Its IUPAC name is [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate.

Molecular Properties

Compound Name[(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate
PubChem CID10858216
Molecular FormulaC7H16O6S2
Molecular Weight260.33 g/mol
Exact Mass260.04
IUPAC Name[(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate
SMILESC[C@H](CCOS(C)(=O)=O)COS(C)(=O)=O
InChIInChI=1S/C7H16O6S2/c1-7(6-13-15(3,10)11)4-5-12-14(2,8)9/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyWKRPDGJTXDSBTB-SSDOTTSWSA-N
XLogP-0.04
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate?
The IUPAC name of [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate (CID 10858216) is [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate.
What is the SMILES notation for [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate?
The canonical SMILES for [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate is C[C@H](CCOS(C)(=O)=O)COS(C)(=O)=O.
What is the InChIKey of [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate?
The InChIKey is WKRPDGJTXDSBTB-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16O6S2/c1-7(6-13-15(3,10)11)4-5-12-14(2,8)9/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate?
[(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate has a molecular weight of 260.33 g/mol, XLogP of -0.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-4-methylsulfonyloxybutyl] methanesulfonate is sourced from PubChem (CID 10858216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).