N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide

C14H20N2O2S — CID 122560557

IUPACN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C14H20N2O2S/c17-14(8-11-4-3-7-19-11)15-12-9-18-10-13(12)16-5-1-2-6-16/h3-4,7,12-13H,1-2,5-6,8-10H2,(H,15,17)/t12-,13-/m0/s1
InChIKeyPNHXTMJEWQVYKD-STQMWFEESA-N
MW280.39 g/mol
LogP1.27
Rot. Bonds4

About N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide

N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 122560557) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
PubChem CID122560557
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C14H20N2O2S/c17-14(8-11-4-3-7-19-11)15-12-9-18-10-13(12)16-5-1-2-6-16/h3-4,7,12-13H,1-2,5-6,8-10H2,(H,15,17)/t12-,13-/m0/s1
InChIKeyPNHXTMJEWQVYKD-STQMWFEESA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 133266993
N-(2-aminocyclopentyl)-2-thiophen-2-ylacetamide
CID 63251271
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 133265705
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 118773864
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(thiophen-2-ylmethyl)urea
CID 100836010
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122556067
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 118767384
3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide
CID 77095907

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide (CID 122560557) is N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is PNHXTMJEWQVYKD-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(8-11-4-3-7-19-11)15-12-9-18-10-13(12)16-5-1-2-6-16/h3-4,7,12-13H,1-2,5-6,8-10H2,(H,15,17)/t12-,13-/m0/s1.
What are the key properties of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide?
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 122560557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).