methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate

C11H14N2O3S — CID 6116653

IUPACmethyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate
SMILESCOC(=O)/C(=C\N(C)C)NC(=O)c1cccs1
InChIInChI=1S/C11H14N2O3S/c1-13(2)7-8(11(15)16-3)12-10(14)9-5-4-6-17-9/h4-7H,1-3H3,(H,12,14)/b8-7+
InChIKeyWYRBTXFWPVYSKA-BQYQJAHWSA-N
MW254.31 g/mol
LogP1.05
Rot. Bonds4

About methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate

methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate (PubChem CID 6116653) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate
PubChem CID6116653
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namemethyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate
SMILESCOC(=O)/C(=C\N(C)C)NC(=O)c1cccs1
InChIInChI=1S/C11H14N2O3S/c1-13(2)7-8(11(15)16-3)12-10(14)9-5-4-6-17-9/h4-7H,1-3H3,(H,12,14)/b8-7+
InChIKeyWYRBTXFWPVYSKA-BQYQJAHWSA-N
XLogP1.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate
CID 10540901
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39964677
ethyl 2-[[(Z)-3-methoxy-3-oxo-2-(thiophene-2-carbonylamino)prop-1-enyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2380066
N-formylthiophene-2-carboxamide
CID 2771336
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate
CID 10685920
N-[(E)-1-(3,4-dimethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 6062175
N-[1-(3,4-dimethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 4299332
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 5442635

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate?
The IUPAC name of methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate (CID 6116653) is methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate is COC(=O)/C(=C\N(C)C)NC(=O)c1cccs1.
What is the InChIKey of methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate?
The InChIKey is WYRBTXFWPVYSKA-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-13(2)7-8(11(15)16-3)12-10(14)9-5-4-6-17-9/h4-7H,1-3H3,(H,12,14)/b8-7+.
What are the key properties of methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate?
methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate has a molecular weight of 254.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate is sourced from PubChem (CID 6116653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).