2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate

C13H19NO3S — CID 66247933

IUPAC2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate
SMILESCCNC1COCC1C(=O)OCCc1cccs1
InChIInChI=1S/C13H19NO3S/c1-2-14-12-9-16-8-11(12)13(15)17-6-5-10-4-3-7-18-10/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3
InChIKeyZKZAOEMMARXOHK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.46
Rot. Bonds6

About 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate

2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate (PubChem CID 66247933) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate
PubChem CID66247933
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate
SMILESCCNC1COCC1C(=O)OCCc1cccs1
InChIInChI=1S/C13H19NO3S/c1-2-14-12-9-16-8-11(12)13(15)17-6-5-10-4-3-7-18-10/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3
InChIKeyZKZAOEMMARXOHK-UHFFFAOYSA-N
XLogP1.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate
CID 66247348
N-ethyl-4-(ethylamino)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66257715
2-[(2-methylpropan-2-yl)oxy]ethyl 4-(ethylamino)oxolane-3-carboxylate
CID 112588000
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588194
4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
CID 66221199
(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
CID 116588175
2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
CID 54966664
2-thiophen-2-ylethyl 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86897194
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
4-(ethylamino)-N-(4-propylphenyl)oxolane-3-carboxamide
CID 66260204
4-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)oxolane-3-carboxamide
CID 66258519

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate?
The IUPAC name of 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate (CID 66247933) is 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate is CCNC1COCC1C(=O)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate?
The InChIKey is ZKZAOEMMARXOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-14-12-9-16-8-11(12)13(15)17-6-5-10-4-3-7-18-10/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate?
2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66247933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).