ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate

C11H16N2O2S — CID 3848888

IUPACethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1ccc(CC)s1
InChIInChI=1S/C11H16N2O2S/c1-4-9-6-7-10(16-9)8(3)12-13-11(14)15-5-2/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyUMPCEIHYKVLGDH-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.78
Rot. Bonds4

About ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate

ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate (PubChem CID 3848888) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
PubChem CID3848888
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1ccc(CC)s1
InChIInChI=1S/C11H16N2O2S/c1-4-9-6-7-10(16-9)8(3)12-13-11(14)15-5-2/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyUMPCEIHYKVLGDH-UHFFFAOYSA-N
XLogP2.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate (CID 3848888) is ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate is CCOC(=O)NN=C(C)c1ccc(CC)s1.
What is the InChIKey of ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate?
The InChIKey is UMPCEIHYKVLGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-4-9-6-7-10(16-9)8(3)12-13-11(14)15-5-2/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate?
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate has a molecular weight of 240.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate is sourced from PubChem (CID 3848888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).