3-sulfonylpropyl 2-methylprop-2-enoate

C7H10O4S — CID 18466429

IUPAC3-sulfonylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC=S(=O)=O
InChIInChI=1S/C7H10O4S/c1-6(2)7(8)11-4-3-5-12(9)10/h5H,1,3-4H2,2H3
InChIKeyVIFCUYKXEICQDY-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.18
Rot. Bonds4

About 3-sulfonylpropyl 2-methylprop-2-enoate

3-sulfonylpropyl 2-methylprop-2-enoate (PubChem CID 18466429) has the molecular formula C7H10O4S and a molecular weight of 190.22 g/mol. Its IUPAC name is 3-sulfonylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-sulfonylpropyl 2-methylprop-2-enoate
PubChem CID18466429
Molecular FormulaC7H10O4S
Molecular Weight190.22 g/mol
Exact Mass190.03
IUPAC Name3-sulfonylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC=S(=O)=O
InChIInChI=1S/C7H10O4S/c1-6(2)7(8)11-4-3-5-12(9)10/h5H,1,3-4H2,2H3
InChIKeyVIFCUYKXEICQDY-UHFFFAOYSA-N
XLogP0.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-sulfonylpropyl 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

Related Compounds

N,N-didodecyldodecan-1-amine;3-sulfonylpropyl 2-methylprop-2-enoate
CID 172722261
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
2-hydroxyethyl 2-methylprop-2-enoate;pentanedial
CID 56841985
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382

Frequently Asked Questions

What is the IUPAC name of 3-sulfonylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-sulfonylpropyl 2-methylprop-2-enoate (CID 18466429) is 3-sulfonylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-sulfonylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-sulfonylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC=S(=O)=O.
What is the InChIKey of 3-sulfonylpropyl 2-methylprop-2-enoate?
The InChIKey is VIFCUYKXEICQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4S/c1-6(2)7(8)11-4-3-5-12(9)10/h5H,1,3-4H2,2H3.
What are the key properties of 3-sulfonylpropyl 2-methylprop-2-enoate?
3-sulfonylpropyl 2-methylprop-2-enoate has a molecular weight of 190.22 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfonylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 18466429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).