[2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

C14H17NO3S — CID 8653409

IUPAC[2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccs1)NC1CCCC1
InChIInChI=1S/C14H17NO3S/c16-13(15-11-4-1-2-5-11)10-18-14(17)8-7-12-6-3-9-19-12/h3,6-9,11H,1-2,4-5,10H2,(H,15,16)/b8-7+
InChIKeyMPMZXRFRLAYCNN-BQYQJAHWSA-N
MW279.36 g/mol
LogP2.36
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 8653409) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID8653409
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccs1)NC1CCCC1
InChIInChI=1S/C14H17NO3S/c16-13(15-11-4-1-2-5-11)10-18-14(17)8-7-12-6-3-9-19-12/h3,6-9,11H,1-2,4-5,10H2,(H,15,16)/b8-7+
InChIKeyMPMZXRFRLAYCNN-BQYQJAHWSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 8653409) is [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is O=C(COC(=O)/C=C/c1cccs1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is MPMZXRFRLAYCNN-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H17NO3S/c16-13(15-11-4-1-2-5-11)10-18-14(17)8-7-12-6-3-9-19-12/h3,6-9,11H,1-2,4-5,10H2,(H,15,16)/b8-7+.
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 279.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 8653409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).