trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide

C10H13NO2S — CID 15141052

IUPACtrans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1c1cccs1
InChIInChI=1S/C10H13NO2S/c1-11(13-2)10(12)8-6-7(8)9-4-3-5-14-9/h3-5,7-8H,6H2,1-2H3/t7-,8-/m1/s1
InChIKeySGIZCLCJURZWAZ-HTQZYQBOSA-N
MW211.29 g/mol
LogP1.87
Rot. Bonds3

About trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 15141052) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID15141052
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nametrans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1c1cccs1
InChIInChI=1S/C10H13NO2S/c1-11(13-2)10(12)8-6-7(8)9-4-3-5-14-9/h3-5,7-8H,6H2,1-2H3/t7-,8-/m1/s1
InChIKeySGIZCLCJURZWAZ-HTQZYQBOSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide (CID 15141052) is trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide is CON(C)C(=O)[C@@H]1C[C@H]1c1cccs1.
What is the InChIKey of trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is SGIZCLCJURZWAZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11(13-2)10(12)8-6-7(8)9-4-3-5-14-9/h3-5,7-8H,6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methoxy-N-methyl-2-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 15141052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).