N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide

C11H14N2O2S — CID 66196694

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide
SMILESNC1C2CCOC2C1NC(=O)c1ccsc1
InChIInChI=1S/C11H14N2O2S/c12-8-7-1-3-15-10(7)9(8)13-11(14)6-2-4-16-5-6/h2,4-5,7-10H,1,3,12H2,(H,13,14)
InChIKeyMIANKJQGMNNSEC-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.59
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide (PubChem CID 66196694) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide
PubChem CID66196694
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide
SMILESNC1C2CCOC2C1NC(=O)c1ccsc1
InChIInChI=1S/C11H14N2O2S/c12-8-7-1-3-15-10(7)9(8)13-11(14)6-2-4-16-5-6/h2,4-5,7-10H,1,3,12H2,(H,13,14)
InChIKeyMIANKJQGMNNSEC-UHFFFAOYSA-N
XLogP0.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide
CID 66195367
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide
CID 66195765
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-chloro-4-hydroxybenzamide
CID 66195347
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide
CID 91795247
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)-2,6-dichlorobenzamide
CID 66194783
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide
CID 66195745
N-(3-azabicyclo[3.1.0]hexan-6-yl)thiophene-3-carboxamide
CID 43594331
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
CID 66194976

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide (CID 66196694) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide is NC1C2CCOC2C1NC(=O)c1ccsc1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide?
The InChIKey is MIANKJQGMNNSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c12-8-7-1-3-15-10(7)9(8)13-11(14)6-2-4-16-5-6/h2,4-5,7-10H,1,3,12H2,(H,13,14).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide is sourced from PubChem (CID 66196694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).