N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C15H20N2O2S — CID 91761934

IUPACN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESN[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1scc2c1CCCC2
InChIInChI=1S/C15H20N2O2S/c16-11-10-5-6-19-13(10)12(11)17-15(18)14-9-4-2-1-3-8(9)7-20-14/h7,10-13H,1-6,16H2,(H,17,18)/t10-,11+,12-,13-/m1/s1
InChIKeyMHVIPXFLFRDSQA-YVECIDJPSA-N
MW292.40 g/mol
LogP1.47
Rot. Bonds2

About N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 91761934) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID91761934
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESN[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1scc2c1CCCC2
InChIInChI=1S/C15H20N2O2S/c16-11-10-5-6-19-13(10)12(11)17-15(18)14-9-4-2-1-3-8(9)7-20-14/h7,10-13H,1-6,16H2,(H,17,18)/t10-,11+,12-,13-/m1/s1
InChIKeyMHVIPXFLFRDSQA-YVECIDJPSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 91761934) is N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1scc2c1CCCC2.
What is the InChIKey of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is MHVIPXFLFRDSQA-YVECIDJPSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-11-10-5-6-19-13(10)12(11)17-15(18)14-9-4-2-1-3-8(9)7-20-14/h7,10-13H,1-6,16H2,(H,17,18)/t10-,11+,12-,13-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.47, 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]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 91761934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).