[1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate

C7H14O5S2 — CID 151280570

IUPAC[1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate
SMILESCS(=O)(=O)CC1(COS(C)(=O)=O)CC1
InChIInChI=1S/C7H14O5S2/c1-13(8,9)6-7(3-4-7)5-12-14(2,10)11/h3-6H2,1-2H3
InChIKeyNYGZKNUAEVBHJA-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.21
Rot. Bonds5

About [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate

[1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate (PubChem CID 151280570) has the molecular formula C7H14O5S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate.

Molecular Properties

Compound Name[1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate
PubChem CID151280570
Molecular FormulaC7H14O5S2
Molecular Weight242.32 g/mol
Exact Mass242.03
IUPAC Name[1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate
SMILESCS(=O)(=O)CC1(COS(C)(=O)=O)CC1
InChIInChI=1S/C7H14O5S2/c1-13(8,9)6-7(3-4-7)5-12-14(2,10)11/h3-6H2,1-2H3
InChIKeyNYGZKNUAEVBHJA-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 [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate?
The IUPAC name of [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate (CID 151280570) is [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate.
What is the SMILES notation for [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate?
The canonical SMILES for [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate is CS(=O)(=O)CC1(COS(C)(=O)=O)CC1.
What is the InChIKey of [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate?
The InChIKey is NYGZKNUAEVBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5S2/c1-13(8,9)6-7(3-4-7)5-12-14(2,10)11/h3-6H2,1-2H3.
What are the key properties of [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate?
[1-(methylsulfonylmethyl)cyclopropyl]methyl 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 [1-(methylsulfonylmethyl)cyclopropyl]methyl methanesulfonate is sourced from PubChem (CID 151280570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).