ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate

C11H18N2O3S — CID 65465534

IUPACethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)C1(N)CC1
InChIInChI=1S/C11H18N2O3S/c1-2-16-9(14)8-7-17-6-5-13(8)10(15)11(12)3-4-11/h8H,2-7,12H2,1H3
InChIKeyKEMGNBDKVLPMLW-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.02
Rot. Bonds3

About ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate

ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate (PubChem CID 65465534) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate
PubChem CID65465534
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Nameethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)C1(N)CC1
InChIInChI=1S/C11H18N2O3S/c1-2-16-9(14)8-7-17-6-5-13(8)10(15)11(12)3-4-11/h8H,2-7,12H2,1H3
InChIKeyKEMGNBDKVLPMLW-UHFFFAOYSA-N
XLogP-0.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate (CID 65465534) is ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate is CCOC(=O)C1CSCCN1C(=O)C1(N)CC1.
What is the InChIKey of ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate?
The InChIKey is KEMGNBDKVLPMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-16-9(14)8-7-17-6-5-13(8)10(15)11(12)3-4-11/h8H,2-7,12H2,1H3.
What are the key properties of ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate?
ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate has a molecular weight of 258.34 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate is sourced from PubChem (CID 65465534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).