N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide

C12H16N2OS — CID 131644799

IUPACN-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide
SMILESCN1CC2C[C@]2(NC(=O)Cc2cccs2)C1
InChIInChI=1S/C12H16N2OS/c1-14-7-9-6-12(9,8-14)13-11(15)5-10-3-2-4-16-10/h2-4,9H,5-8H2,1H3,(H,13,15)/t9?,12-/m0/s1
InChIKeyMSDIMUBFWXUZEX-ACGXKRRESA-N
MW236.34 g/mol
LogP1.11
Rot. Bonds3

About N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide

N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide (PubChem CID 131644799) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide
PubChem CID131644799
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide
SMILESCN1CC2C[C@]2(NC(=O)Cc2cccs2)C1
InChIInChI=1S/C12H16N2OS/c1-14-7-9-6-12(9,8-14)13-11(15)5-10-3-2-4-16-10/h2-4,9H,5-8H2,1H3,(H,13,15)/t9?,12-/m0/s1
InChIKeyMSDIMUBFWXUZEX-ACGXKRRESA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide with MolForge

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Related Compounds

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N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-2-thiophen-2-ylacetamide
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N-cyclooctyl-2-thiophen-2-ylacetamide
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N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-thiophen-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide (CID 131644799) is N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide is CN1CC2C[C@]2(NC(=O)Cc2cccs2)C1.
What is the InChIKey of N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide?
The InChIKey is MSDIMUBFWXUZEX-ACGXKRRESA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14-7-9-6-12(9,8-14)13-11(15)5-10-3-2-4-16-10/h2-4,9H,5-8H2,1H3,(H,13,15)/t9?,12-/m0/s1.
What are the key properties of N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide?
N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide has a molecular weight of 236.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 131644799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).