ethyl (2-methylsulfonylcyclopropyl)methanesulfonate

C7H14O5S2 — CID 175179257

IUPACethyl (2-methylsulfonylcyclopropyl)methanesulfonate
SMILESCCOS(=O)(=O)CC1CC1S(C)(=O)=O
InChIInChI=1S/C7H14O5S2/c1-3-12-14(10,11)5-6-4-7(6)13(2,8)9/h6-7H,3-5H2,1-2H3
InChIKeyOVAYXCWAVWNEBT-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.21
Rot. Bonds5

About ethyl (2-methylsulfonylcyclopropyl)methanesulfonate

ethyl (2-methylsulfonylcyclopropyl)methanesulfonate (PubChem CID 175179257) has the molecular formula C7H14O5S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl (2-methylsulfonylcyclopropyl)methanesulfonate.

Molecular Properties

Compound Nameethyl (2-methylsulfonylcyclopropyl)methanesulfonate
PubChem CID175179257
Molecular FormulaC7H14O5S2
Molecular Weight242.32 g/mol
Exact Mass242.03
IUPAC Nameethyl (2-methylsulfonylcyclopropyl)methanesulfonate
SMILESCCOS(=O)(=O)CC1CC1S(C)(=O)=O
InChIInChI=1S/C7H14O5S2/c1-3-12-14(10,11)5-6-4-7(6)13(2,8)9/h6-7H,3-5H2,1-2H3
InChIKeyOVAYXCWAVWNEBT-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
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 ethyl (2-methylsulfonylcyclopropyl)methanesulfonate?
The IUPAC name of ethyl (2-methylsulfonylcyclopropyl)methanesulfonate (CID 175179257) is ethyl (2-methylsulfonylcyclopropyl)methanesulfonate.
What is the SMILES notation for ethyl (2-methylsulfonylcyclopropyl)methanesulfonate?
The canonical SMILES for ethyl (2-methylsulfonylcyclopropyl)methanesulfonate is CCOS(=O)(=O)CC1CC1S(C)(=O)=O.
What is the InChIKey of ethyl (2-methylsulfonylcyclopropyl)methanesulfonate?
The InChIKey is OVAYXCWAVWNEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5S2/c1-3-12-14(10,11)5-6-4-7(6)13(2,8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl (2-methylsulfonylcyclopropyl)methanesulfonate?
ethyl (2-methylsulfonylcyclopropyl)methanesulfonate has a molecular weight of 242.32 g/mol, XLogP of -0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-methylsulfonylcyclopropyl)methanesulfonate is sourced from PubChem (CID 175179257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).