6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C16H24N2O2S — CID 114946237

IUPAC6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCc1cc(CNC(=O)C2(N)C3CCOC3C2(C)C)sc1C
InChIInChI=1S/C16H24N2O2S/c1-9-7-11(21-10(9)2)8-18-14(19)16(17)12-5-6-20-13(12)15(16,3)4/h7,12-13H,5-6,8,17H2,1-4H3,(H,18,19)
InChIKeyICKWWSYBYNPVDI-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.12
Rot. Bonds3

About 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946237) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946237
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCc1cc(CNC(=O)C2(N)C3CCOC3C2(C)C)sc1C
InChIInChI=1S/C16H24N2O2S/c1-9-7-11(21-10(9)2)8-18-14(19)16(17)12-5-6-20-13(12)15(16,3)4/h7,12-13H,5-6,8,17H2,1-4H3,(H,18,19)
InChIKeyICKWWSYBYNPVDI-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946237) is 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is Cc1cc(CNC(=O)C2(N)C3CCOC3C2(C)C)sc1C.
What is the InChIKey of 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is ICKWWSYBYNPVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-9-7-11(21-10(9)2)8-18-14(19)16(17)12-5-6-20-13(12)15(16,3)4/h7,12-13H,5-6,8,17H2,1-4H3,(H,18,19).
What are the key properties of 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).