N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide

C11H13ClN2O2S — CID 91795247

IUPACN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide
SMILESN[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2O2S/c12-7-2-1-6(17-7)11(15)14-9-8(13)5-3-4-16-10(5)9/h1-2,5,8-10H,3-4,13H2,(H,14,15)/t5-,8+,9-,10-/m1/s1
InChIKeyZNWFLAOFEBHULF-KNPZVZKISA-N
MW272.76 g/mol
LogP1.25
Rot. Bonds2

About N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide

N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide (PubChem CID 91795247) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide
PubChem CID91795247
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC NameN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide
SMILESN[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2O2S/c12-7-2-1-6(17-7)11(15)14-9-8(13)5-3-4-16-10(5)9/h1-2,5,8-10H,3-4,13H2,(H,14,15)/t5-,8+,9-,10-/m1/s1
InChIKeyZNWFLAOFEBHULF-KNPZVZKISA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide with MolForge

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide
CID 66194783
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
CID 66195347
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 66194797
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(2-chlorophenyl)acetamide
CID 66195362
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
CID 66194976
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide
CID 66194805
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
CID 107672150
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
CID 66196506
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide
CID 66197676
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-bromo-2-methylbenzamide
CID 66194773
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methyl-6-nitrobenzamide
CID 66197475
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide
CID 66195765

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide (CID 91795247) is N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide is N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide?
The InChIKey is ZNWFLAOFEBHULF-KNPZVZKISA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c12-7-2-1-6(17-7)11(15)14-9-8(13)5-3-4-16-10(5)9/h1-2,5,8-10H,3-4,13H2,(H,14,15)/t5-,8+,9-,10-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide?
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide has a molecular weight of 272.76 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 91795247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).