ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate

C9H18N2O4S — CID 123281990

IUPACethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate
SMILESCCOC(=O)C(=CN(C)C)S(=O)(=O)N(C)C
InChIInChI=1S/C9H18N2O4S/c1-6-15-9(12)8(7-10(2)3)16(13,14)11(4)5/h7H,6H2,1-5H3
InChIKeyQIYKOTUPSVOSSA-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.16
Rot. Bonds5

About ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate

ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate (PubChem CID 123281990) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate
PubChem CID123281990
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Nameethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate
SMILESCCOC(=O)C(=CN(C)C)S(=O)(=O)N(C)C
InChIInChI=1S/C9H18N2O4S/c1-6-15-9(12)8(7-10(2)3)16(13,14)11(4)5/h7H,6H2,1-5H3
InChIKeyQIYKOTUPSVOSSA-UHFFFAOYSA-N
XLogP-0.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.16
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

ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl 3-(dimethylamino)-2-methoxyprop-2-enoate
CID 142611007
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CID 14003879
ethyl (3E)-3-(dimethylaminomethylidene)-2-oxohexanoate
CID 87523307
ethyl (Z)-3-(dimethylamino)-2-[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]sulfanylcarbothioylsulfanylprop-2-enoate
CID 140906882
ethyl 2-(dimethylaminomethylidene)-4,4-diethoxy-3-oxobutanoate
CID 123925064
ethyl 3-(dimethylamino)-2-isocyanatoprop-2-enoate
CID 54395864
ethyl 2-(dimethylaminomethylidene)-4,4,4-trifluorobutanoate
CID 150951259
ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate
CID 166767336
ethyl 4-(dimethylamino)-2-(dimethylaminomethylidene)-3-oxopentanoate
CID 76641612
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate?
The IUPAC name of ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate (CID 123281990) is ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate is CCOC(=O)C(=CN(C)C)S(=O)(=O)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate?
The InChIKey is QIYKOTUPSVOSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-6-15-9(12)8(7-10(2)3)16(13,14)11(4)5/h7H,6H2,1-5H3.
What are the key properties of ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate?
ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate has a molecular weight of 250.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate is sourced from PubChem (CID 123281990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).