7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide

C16H24N2O2S — CID 114945819

IUPAC7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1(C)C2OCCCC2C1(N)C(=O)NCCc1ccsc1
InChIInChI=1S/C16H24N2O2S/c1-15(2)13-12(4-3-8-20-13)16(15,17)14(19)18-7-5-11-6-9-21-10-11/h6,9-10,12-13H,3-5,7-8,17H2,1-2H3,(H,18,19)
InChIKeyHQBBCXZHYLDVHC-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.94
Rot. Bonds4

About 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114945819) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114945819
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCC1(C)C2OCCCC2C1(N)C(=O)NCCc1ccsc1
InChIInChI=1S/C16H24N2O2S/c1-15(2)13-12(4-3-8-20-13)16(15,17)14(19)18-7-5-11-6-9-21-10-11/h6,9-10,12-13H,3-5,7-8,17H2,1-2H3,(H,18,19)
InChIKeyHQBBCXZHYLDVHC-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-N,8,8-trimethyl-N-(thiophen-3-ylmethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945364
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106397626
7-amino-8,8-dimethyl-N-[(4-methylthiophen-3-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946384
7-amino-N-[(4-bromothiophen-2-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946144
7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 102611573
7-amino-8,8-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106427671
7-amino-8,8-dimethyl-N-[2-(methylamino)-2-oxoethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945312
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945769
6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114945819) is 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide is CC1(C)C2OCCCC2C1(N)C(=O)NCCc1ccsc1.
What is the InChIKey of 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is HQBBCXZHYLDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-15(2)13-12(4-3-8-20-13)16(15,17)14(19)18-7-5-11-6-9-21-10-11/h6,9-10,12-13H,3-5,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114945819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).