methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

C17H22N2O4S — CID 45210141

IUPACmethyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C17H22N2O4S/c1-3-19-14(20)10-13(16(22)23-2)17(19)5-7-18(8-6-17)15(21)12-4-9-24-11-12/h4,9,11,13H,3,5-8,10H2,1-2H3
InChIKeyWFNQVTXGFZQYQZ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.76
Rot. Bonds3

About methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45210141) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45210141
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Namemethyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C17H22N2O4S/c1-3-19-14(20)10-13(16(22)23-2)17(19)5-7-18(8-6-17)15(21)12-4-9-24-11-12/h4,9,11,13H,3,5-8,10H2,1-2H3
InChIKeyWFNQVTXGFZQYQZ-UHFFFAOYSA-N
XLogP1.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45210141) is methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is CCN1C(=O)CC(C(=O)OC)C12CCN(C(=O)c1ccsc1)CC2.
What is the InChIKey of methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is WFNQVTXGFZQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-3-19-14(20)10-13(16(22)23-2)17(19)5-7-18(8-6-17)15(21)12-4-9-24-11-12/h4,9,11,13H,3,5-8,10H2,1-2H3.
What are the key properties of methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45210141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).