[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

C17H22N2O4S — CID 8943178

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)N1CCNC1=O
InChIInChI=1S/C17H22N2O4S/c1-11(15(20)19-9-8-18-17(19)22)23-16(21)14-10-12-6-4-2-3-5-7-13(12)24-14/h10-11H,2-9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyUTKYEITXXZCREW-LLVKDONJSA-N
MW350.44 g/mol
LogP2.50
Rot. Bonds3

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate (PubChem CID 8943178) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate
PubChem CID8943178
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)N1CCNC1=O
InChIInChI=1S/C17H22N2O4S/c1-11(15(20)19-9-8-18-17(19)22)23-16(21)14-10-12-6-4-2-3-5-7-13(12)24-14/h10-11H,2-9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyUTKYEITXXZCREW-LLVKDONJSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 8949100
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 8951122
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 23972121
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 55307988
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352043
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7043385
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352014
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 15945194
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7291785
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7623223
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059894

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate (CID 8943178) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate is C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate?
The InChIKey is UTKYEITXXZCREW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11(15(20)19-9-8-18-17(19)22)23-16(21)14-10-12-6-4-2-3-5-7-13(12)24-14/h10-11H,2-9H2,1H3,(H,18,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate is sourced from PubChem (CID 8943178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).