2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate

C8H13NO3S — CID 148821363

IUPAC2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)SCC
InChIInChI=1S/C8H13NO3S/c1-3-7(10)12-6-5-9-8(11)13-4-2/h3H,1,4-6H2,2H3,(H,9,11)
InChIKeyORVRZDABBHIILM-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.18
Rot. Bonds5

About 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate

2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate (PubChem CID 148821363) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
PubChem CID148821363
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)SCC
InChIInChI=1S/C8H13NO3S/c1-3-7(10)12-6-5-9-8(11)13-4-2/h3H,1,4-6H2,2H3,(H,9,11)
InChIKeyORVRZDABBHIILM-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-acetamidoethyl prop-2-enoate
CID 23089005
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate
CID 146640765
2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate
CID 139748458
2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
CID 87421458
2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate
CID 139453995
2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
CID 138533893

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate (CID 148821363) is 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)SCC.
What is the InChIKey of 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate?
The InChIKey is ORVRZDABBHIILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-3-7(10)12-6-5-9-8(11)13-4-2/h3H,1,4-6H2,2H3,(H,9,11).
What are the key properties of 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate?
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate has a molecular weight of 203.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate is sourced from PubChem (CID 148821363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).