N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide

C16H22N2O2S — CID 91781950

IUPACN-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1
InChIInChI=1S/C16H22N2O2S/c19-13(9-11-4-8-21-10-11)17-14-12-3-7-20-16(12)15(14)18-5-1-2-6-18/h4,8,10,12,14-16H,1-3,5-7,9H2,(H,17,19)/t12-,14+,15-,16-/m1/s1
InChIKeyQXEIXOJVVJSNHA-SLBVQIDZSA-N
MW306.43 g/mol
LogP1.66
Rot. Bonds4

About N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide

N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide (PubChem CID 91781950) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide
PubChem CID91781950
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1
InChIInChI=1S/C16H22N2O2S/c19-13(9-11-4-8-21-10-11)17-14-12-3-7-20-16(12)15(14)18-5-1-2-6-18/h4,8,10,12,14-16H,1-3,5-7,9H2,(H,17,19)/t12-,14+,15-,16-/m1/s1
InChIKeyQXEIXOJVVJSNHA-SLBVQIDZSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide 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

2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91769076
3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91778198
6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide
CID 91775118
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-thiophen-3-ylpropanamide
CID 91784616
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 91774100
4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide
CID 91796653
1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide
CID 91779580
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide
CID 94867277
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide (CID 91781950) is N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide?
The InChIKey is QXEIXOJVVJSNHA-SLBVQIDZSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-13(9-11-4-8-21-10-11)17-14-12-3-7-20-16(12)15(14)18-5-1-2-6-18/h4,8,10,12,14-16H,1-3,5-7,9H2,(H,17,19)/t12-,14+,15-,16-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide?
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide has a molecular weight of 306.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91781950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).