1-cyclohexylsulfonylethyl 2-methylprop-2-enoate

C12H20O4S — CID 171762763

IUPAC1-cyclohexylsulfonylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H20O4S/c1-9(2)12(13)16-10(3)17(14,15)11-7-5-4-6-8-11/h10-11H,1,4-8H2,2-3H3
InChIKeyMVJBELMBVGLLCT-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.20
Rot. Bonds4

About 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate

1-cyclohexylsulfonylethyl 2-methylprop-2-enoate (PubChem CID 171762763) has the molecular formula C12H20O4S and a molecular weight of 260.35 g/mol. Its IUPAC name is 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-cyclohexylsulfonylethyl 2-methylprop-2-enoate
PubChem CID171762763
Molecular FormulaC12H20O4S
Molecular Weight260.35 g/mol
Exact Mass260.11
IUPAC Name1-cyclohexylsulfonylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H20O4S/c1-9(2)12(13)16-10(3)17(14,15)11-7-5-4-6-8-11/h10-11H,1,4-8H2,2-3H3
InChIKeyMVJBELMBVGLLCT-UHFFFAOYSA-N
XLogP2.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate?
The IUPAC name of 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate (CID 171762763) is 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate?
The InChIKey is MVJBELMBVGLLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4S/c1-9(2)12(13)16-10(3)17(14,15)11-7-5-4-6-8-11/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate?
1-cyclohexylsulfonylethyl 2-methylprop-2-enoate has a molecular weight of 260.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 171762763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).