N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide

C11H15NO2S — CID 54394926

IUPACN-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide
SMILESCC(=O)N(O)C(C)[C@@H]1C[C@H]1c1cccs1
InChIInChI=1S/C11H15NO2S/c1-7(12(14)8(2)13)9-6-10(9)11-4-3-5-15-11/h3-5,7,9-10,14H,6H2,1-2H3/t7?,9-,10+/m0/s1
InChIKeyVJGJOTKERNQDAX-VYDKEIKOSA-N
MW225.31 g/mol
LogP2.48
Rot. Bonds3

About N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide

N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide (PubChem CID 54394926) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide
PubChem CID54394926
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide
SMILESCC(=O)N(O)C(C)[C@@H]1C[C@H]1c1cccs1
InChIInChI=1S/C11H15NO2S/c1-7(12(14)8(2)13)9-6-10(9)11-4-3-5-15-11/h3-5,7,9-10,14H,6H2,1-2H3/t7?,9-,10+/m0/s1
InChIKeyVJGJOTKERNQDAX-VYDKEIKOSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
CID 134845661
2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
CID 174828930
trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 15141052
1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea
CID 18646340
1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646366
1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646413
1-Hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea
CID 19894141
1-Hydroxy-1-[(2-thiophen-2-ylcyclopropyl)methyl]urea
CID 19894237
N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide
CID 19894242
1-Hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea
CID 19894243
1-Hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea
CID 19894245
1-Hydroxy-1-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 19894256

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide?
The IUPAC name of N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide (CID 54394926) is N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide?
The canonical SMILES for N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide is CC(=O)N(O)C(C)[C@@H]1C[C@H]1c1cccs1.
What is the InChIKey of N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide?
The InChIKey is VJGJOTKERNQDAX-VYDKEIKOSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7(12(14)8(2)13)9-6-10(9)11-4-3-5-15-11/h3-5,7,9-10,14H,6H2,1-2H3/t7?,9-,10+/m0/s1.
What are the key properties of N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide?
N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide has a molecular weight of 225.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide is sourced from PubChem (CID 54394926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).