2-cyclopropylsulfonylpropyl methanesulfonate

C7H14O5S2 — CID 153461499

IUPAC2-cyclopropylsulfonylpropyl methanesulfonate
SMILESCC(COS(C)(=O)=O)S(=O)(=O)C1CC1
InChIInChI=1S/C7H14O5S2/c1-6(5-12-13(2,8)9)14(10,11)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyWGILFHXMAXVUSY-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.07
Rot. Bonds5

About 2-cyclopropylsulfonylpropyl methanesulfonate

2-cyclopropylsulfonylpropyl methanesulfonate (PubChem CID 153461499) has the molecular formula C7H14O5S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-cyclopropylsulfonylpropyl methanesulfonate.

Molecular Properties

Compound Name2-cyclopropylsulfonylpropyl methanesulfonate
PubChem CID153461499
Molecular FormulaC7H14O5S2
Molecular Weight242.32 g/mol
Exact Mass242.03
IUPAC Name2-cyclopropylsulfonylpropyl methanesulfonate
SMILESCC(COS(C)(=O)=O)S(=O)(=O)C1CC1
InChIInChI=1S/C7H14O5S2/c1-6(5-12-13(2,8)9)14(10,11)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyWGILFHXMAXVUSY-UHFFFAOYSA-N
XLogP-0.07
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonylpropyl methanesulfonate?
The IUPAC name of 2-cyclopropylsulfonylpropyl methanesulfonate (CID 153461499) is 2-cyclopropylsulfonylpropyl methanesulfonate.
What is the SMILES notation for 2-cyclopropylsulfonylpropyl methanesulfonate?
The canonical SMILES for 2-cyclopropylsulfonylpropyl methanesulfonate is CC(COS(C)(=O)=O)S(=O)(=O)C1CC1.
What is the InChIKey of 2-cyclopropylsulfonylpropyl methanesulfonate?
The InChIKey is WGILFHXMAXVUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5S2/c1-6(5-12-13(2,8)9)14(10,11)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropylsulfonylpropyl methanesulfonate?
2-cyclopropylsulfonylpropyl methanesulfonate has a molecular weight of 242.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonylpropyl methanesulfonate is sourced from PubChem (CID 153461499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).