(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate

C10H13NO2S — CID 122223996

IUPAC(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
SMILESCN(C)COC(=O)/C=C\c1cccs1
InChIInChI=1S/C10H13NO2S/c1-11(2)8-13-10(12)6-5-9-4-3-7-14-9/h3-7H,8H2,1-2H3/b6-5-
InChIKeyCAULOXZSTCGOHA-WAYWQWQTSA-N
MW211.29 g/mol
LogP1.82
Rot. Bonds4

About (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate

(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate (PubChem CID 122223996) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
PubChem CID122223996
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
SMILESCN(C)COC(=O)/C=C\c1cccs1
InChIInChI=1S/C10H13NO2S/c1-11(2)8-13-10(12)6-5-9-4-3-7-14-9/h3-7H,8H2,1-2H3/b6-5-
InChIKeyCAULOXZSTCGOHA-WAYWQWQTSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate
CID 5023945
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78788566
2-methylsulfanylethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78790183
[2-[benzyl(methyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2355389
(dimethylamino)methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 122223999
(2-bromo-4,5-dimethoxyphenyl)methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 9061154
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-thiophen-2-ylprop-2-enoate
CID 3994895
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 921834
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648488

Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate (CID 122223996) is (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate is CN(C)COC(=O)/C=C\c1cccs1.
What is the InChIKey of (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is CAULOXZSTCGOHA-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11(2)8-13-10(12)6-5-9-4-3-7-14-9/h3-7H,8H2,1-2H3/b6-5-.
What are the key properties of (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate?
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 211.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 122223996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).