(1-ethylsulfonylcyclopropyl)methyl methanesulfonate

C7H14O5S2 — CID 146441911

IUPAC(1-ethylsulfonylcyclopropyl)methyl methanesulfonate
SMILESCCS(=O)(=O)C1(COS(C)(=O)=O)CC1
InChIInChI=1S/C7H14O5S2/c1-3-14(10,11)7(4-5-7)6-12-13(2,8)9/h3-6H2,1-2H3
InChIKeyPSYYJMWCGCPAOP-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.07
Rot. Bonds5

About (1-ethylsulfonylcyclopropyl)methyl methanesulfonate

(1-ethylsulfonylcyclopropyl)methyl methanesulfonate (PubChem CID 146441911) has the molecular formula C7H14O5S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1-ethylsulfonylcyclopropyl)methyl methanesulfonate.

Molecular Properties

Compound Name(1-ethylsulfonylcyclopropyl)methyl methanesulfonate
PubChem CID146441911
Molecular FormulaC7H14O5S2
Molecular Weight242.32 g/mol
Exact Mass242.03
IUPAC Name(1-ethylsulfonylcyclopropyl)methyl methanesulfonate
SMILESCCS(=O)(=O)C1(COS(C)(=O)=O)CC1
InChIInChI=1S/C7H14O5S2/c1-3-14(10,11)7(4-5-7)6-12-13(2,8)9/h3-6H2,1-2H3
InChIKeyPSYYJMWCGCPAOP-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 (1-ethylsulfonylcyclopropyl)methyl methanesulfonate?
The IUPAC name of (1-ethylsulfonylcyclopropyl)methyl methanesulfonate (CID 146441911) is (1-ethylsulfonylcyclopropyl)methyl methanesulfonate.
What is the SMILES notation for (1-ethylsulfonylcyclopropyl)methyl methanesulfonate?
The canonical SMILES for (1-ethylsulfonylcyclopropyl)methyl methanesulfonate is CCS(=O)(=O)C1(COS(C)(=O)=O)CC1.
What is the InChIKey of (1-ethylsulfonylcyclopropyl)methyl methanesulfonate?
The InChIKey is PSYYJMWCGCPAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5S2/c1-3-14(10,11)7(4-5-7)6-12-13(2,8)9/h3-6H2,1-2H3.
What are the key properties of (1-ethylsulfonylcyclopropyl)methyl methanesulfonate?
(1-ethylsulfonylcyclopropyl)methyl 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 (1-ethylsulfonylcyclopropyl)methyl methanesulfonate is sourced from PubChem (CID 146441911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).