(1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate

C9H16O5S2 — CID 146442086

IUPAC(1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(S(=O)(=O)C2CCC2)CC1
InChIInChI=1S/C9H16O5S2/c1-15(10,11)14-7-9(5-6-9)16(12,13)8-3-2-4-8/h8H,2-7H2,1H3
InChIKeyJGYJJRHJKZGPPA-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.46
Rot. Bonds5

About (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate

(1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate (PubChem CID 146442086) has the molecular formula C9H16O5S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate.

Molecular Properties

Compound Name(1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate
PubChem CID146442086
Molecular FormulaC9H16O5S2
Molecular Weight268.36 g/mol
Exact Mass268.04
IUPAC Name(1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(S(=O)(=O)C2CCC2)CC1
InChIInChI=1S/C9H16O5S2/c1-15(10,11)14-7-9(5-6-9)16(12,13)8-3-2-4-8/h8H,2-7H2,1H3
InChIKeyJGYJJRHJKZGPPA-UHFFFAOYSA-N
XLogP0.46
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.46
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-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate?
The IUPAC name of (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate (CID 146442086) is (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate.
What is the SMILES notation for (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate?
The canonical SMILES for (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate is CS(=O)(=O)OCC1(S(=O)(=O)C2CCC2)CC1.
What is the InChIKey of (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate?
The InChIKey is JGYJJRHJKZGPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S2/c1-15(10,11)14-7-9(5-6-9)16(12,13)8-3-2-4-8/h8H,2-7H2,1H3.
What are the key properties of (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate?
(1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate has a molecular weight of 268.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylsulfonylcyclopropyl)methyl methanesulfonate is sourced from PubChem (CID 146442086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).