2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate

C10H12O4S2 — CID 171762676

IUPAC2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCS(=O)(=O)c1cccs1
InChIInChI=1S/C10H12O4S2/c1-8(2)10(11)14-5-7-16(12,13)9-4-3-6-15-9/h3-4,6H,1,5,7H2,2H3
InChIKeyDODNKVHLGUTTDY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds5

About 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate

2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate (PubChem CID 171762676) has the molecular formula C10H12O4S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate
PubChem CID171762676
Molecular FormulaC10H12O4S2
Molecular Weight260.34 g/mol
Exact Mass260.02
IUPAC Name2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCS(=O)(=O)c1cccs1
InChIInChI=1S/C10H12O4S2/c1-8(2)10(11)14-5-7-16(12,13)9-4-3-6-15-9/h3-4,6H,1,5,7H2,2H3
InChIKeyDODNKVHLGUTTDY-UHFFFAOYSA-N
XLogP1.64
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylprop-2-enoyloxy)butyl thiophene-2-carboxylate
CID 21182205
2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate
CID 20673042
2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
2-(benzenesulfonylperoxy)ethyl 2-methylprop-2-enoate
CID 160633898
2-thiophen-2-ylsulfonylethanesulfonyl chloride
CID 12513886
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 173327634
5-thiophen-2-ylsulfonylpentan-1-amine
CID 64697389
2-thiophen-2-ylbutyl 2-methylprop-2-enoate
CID 56999397
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
benzenesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 88734016
3-thiophen-2-ylsulfonylbutan-2-one
CID 64642163
2-(2-methylprop-2-enoyloxy)ethanesulfonate;pyridin-1-ium
CID 87218095

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate (CID 171762676) is 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCS(=O)(=O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate?
The InChIKey is DODNKVHLGUTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S2/c1-8(2)10(11)14-5-7-16(12,13)9-4-3-6-15-9/h3-4,6H,1,5,7H2,2H3.
What are the key properties of 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate?
2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate has a molecular weight of 260.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 171762676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).