methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate

C11H11NO5S — CID 16639326

IUPACmethyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)Nc1sc2c(c1C(=O)OC)CCC2=O
InChIInChI=1S/C11H11NO5S/c1-16-10(14)7-5-3-4-6(13)8(5)18-9(7)12-11(15)17-2/h3-4H2,1-2H3,(H,12,15)
InChIKeyDAUWRUCSYZJNTJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.84
Rot. Bonds2

About methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate

methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate (PubChem CID 16639326) has the molecular formula C11H11NO5S and a molecular weight of 269.28 g/mol. Its IUPAC name is methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
PubChem CID16639326
Molecular FormulaC11H11NO5S
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Namemethyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)Nc1sc2c(c1C(=O)OC)CCC2=O
InChIInChI=1S/C11H11NO5S/c1-16-10(14)7-5-3-4-6(13)8(5)18-9(7)12-11(15)17-2/h3-4H2,1-2H3,(H,12,15)
InChIKeyDAUWRUCSYZJNTJ-UHFFFAOYSA-N
XLogP1.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
CID 16639324
ethyl 7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 2830694
methyl 2-[(2-chloroacetyl)amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 91691049
ethyl 2-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 720189
ethyl 2-[[2-(diethylamino)acetyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 3123927
methyl 2-(ethoxycarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4687682
methyl N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamate
CID 2932152
methyl 5-amino-2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146284326
2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide
CID 146278815
methyl 2-[(3-methoxy-3-oxopropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 28637903
ethyl 2-(ethoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 648579
methyl 2-[[4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3374203

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate (CID 16639326) is methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate is COC(=O)Nc1sc2c(c1C(=O)OC)CCC2=O.
What is the InChIKey of methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate?
The InChIKey is DAUWRUCSYZJNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S/c1-16-10(14)7-5-3-4-6(13)8(5)18-9(7)12-11(15)17-2/h3-4H2,1-2H3,(H,12,15).
What are the key properties of methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate?
methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 16639326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).