azane;ethenylsulfonyl 2-methylprop-2-enoate

C6H11NO4S — CID 88524432

IUPACazane;ethenylsulfonyl 2-methylprop-2-enoate
SMILESC=CS(=O)(=O)OC(=O)C(=C)C.N
InChIInChI=1S/C6H8O4S.H3N/c1-4-11(8,9)10-6(7)5(2)3;/h4H,1-2H2,3H3;1H3
InChIKeyQPZUXVIWIKXCOF-UHFFFAOYSA-N
MW193.22 g/mol
LogP0.74
Rot. Bonds3

About azane;ethenylsulfonyl 2-methylprop-2-enoate

azane;ethenylsulfonyl 2-methylprop-2-enoate (PubChem CID 88524432) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is azane;ethenylsulfonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameazane;ethenylsulfonyl 2-methylprop-2-enoate
PubChem CID88524432
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Nameazane;ethenylsulfonyl 2-methylprop-2-enoate
SMILESC=CS(=O)(=O)OC(=O)C(=C)C.N
InChIInChI=1S/C6H8O4S.H3N/c1-4-11(8,9)10-6(7)5(2)3;/h4H,1-2H2,3H3;1H3
InChIKeyQPZUXVIWIKXCOF-UHFFFAOYSA-N
XLogP0.74
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze azane;ethenylsulfonyl 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

ethenylsulfonyl 2-methylprop-2-enoate
CID 87143223
1-aminoethenyl ethenesulfonate
CID 174374088
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
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
ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19833290
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
azane;hydroxymethyl 2-methylprop-2-enoate
CID 172791973
1-(2-methylprop-2-enoyloxy)prop-2-ene-1-sulfonic acid
CID 87647233
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800

Frequently Asked Questions

What is the IUPAC name of azane;ethenylsulfonyl 2-methylprop-2-enoate?
The IUPAC name of azane;ethenylsulfonyl 2-methylprop-2-enoate (CID 88524432) is azane;ethenylsulfonyl 2-methylprop-2-enoate.
What is the SMILES notation for azane;ethenylsulfonyl 2-methylprop-2-enoate?
The canonical SMILES for azane;ethenylsulfonyl 2-methylprop-2-enoate is C=CS(=O)(=O)OC(=O)C(=C)C.N.
What is the InChIKey of azane;ethenylsulfonyl 2-methylprop-2-enoate?
The InChIKey is QPZUXVIWIKXCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4S.H3N/c1-4-11(8,9)10-6(7)5(2)3;/h4H,1-2H2,3H3;1H3.
What are the key properties of azane;ethenylsulfonyl 2-methylprop-2-enoate?
azane;ethenylsulfonyl 2-methylprop-2-enoate has a molecular weight of 193.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethenylsulfonyl 2-methylprop-2-enoate is sourced from PubChem (CID 88524432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).