ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate

C12H20N2O4S — CID 64893574

IUPACethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)C1(N)CCOC1
InChIInChI=1S/C12H20N2O4S/c1-2-18-10(15)9-7-19-6-4-14(9)11(16)12(13)3-5-17-8-12/h9H,2-8,13H2,1H3
InChIKeyLLCHFUKASSVGEV-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.39
Rot. Bonds3

About ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate

ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate (PubChem CID 64893574) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate
PubChem CID64893574
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Nameethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)C1(N)CCOC1
InChIInChI=1S/C12H20N2O4S/c1-2-18-10(15)9-7-19-6-4-14(9)11(16)12(13)3-5-17-8-12/h9H,2-8,13H2,1H3
InChIKeyLLCHFUKASSVGEV-UHFFFAOYSA-N
XLogP-0.39
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate (CID 64893574) is ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate is CCOC(=O)C1CSCCN1C(=O)C1(N)CCOC1.
What is the InChIKey of ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate?
The InChIKey is LLCHFUKASSVGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-2-18-10(15)9-7-19-6-4-14(9)11(16)12(13)3-5-17-8-12/h9H,2-8,13H2,1H3.
What are the key properties of ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate?
ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate has a molecular weight of 288.37 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-aminooxolane-3-carbonyl)thiomorpholine-3-carboxylate is sourced from PubChem (CID 64893574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).