6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H22N2O2S — CID 114945373

IUPAC6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(NC(=O)C1(N)C2CCOC2C1(C)C)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-9(11-5-4-8-20-11)17-13(18)15(16)10-6-7-19-12(10)14(15,2)3/h4-5,8-10,12H,6-7,16H2,1-3H3,(H,17,18)
InChIKeySPMBZTYBJLTFSQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.07
Rot. Bonds3

About 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945373) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945373
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(NC(=O)C1(N)C2CCOC2C1(C)C)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-9(11-5-4-8-20-11)17-13(18)15(16)10-6-7-19-12(10)14(15,2)3/h4-5,8-10,12H,6-7,16H2,1-3H3,(H,17,18)
InChIKeySPMBZTYBJLTFSQ-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946165
6-amino-N-(2,6-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945252
6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946905
3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892097
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
7-amino-N-(3-hydroxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946216
6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946520
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946237

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945373) is 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC(NC(=O)C1(N)C2CCOC2C1(C)C)c1cccs1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is SPMBZTYBJLTFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-9(11-5-4-8-20-11)17-13(18)15(16)10-6-7-19-12(10)14(15,2)3/h4-5,8-10,12H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).