2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide

C14H18N2OS — CID 114096100

IUPAC2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
SMILESNC(C(=O)NC1C2C3CCC(C3)C12)c1cccs1
InChIInChI=1S/C14H18N2OS/c15-12(9-2-1-5-18-9)14(17)16-13-10-7-3-4-8(6-7)11(10)13/h1-2,5,7-8,10-13H,3-4,6,15H2,(H,16,17)
InChIKeyVKXISTYWFBUGIY-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide

2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide (PubChem CID 114096100) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide.

Molecular Properties

Compound Name2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
PubChem CID114096100
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
SMILESNC(C(=O)NC1C2C3CCC(C3)C12)c1cccs1
InChIInChI=1S/C14H18N2OS/c15-12(9-2-1-5-18-9)14(17)16-13-10-7-3-4-8(6-7)11(10)13/h1-2,5,7-8,10-13H,3-4,6,15H2,(H,16,17)
InChIKeyVKXISTYWFBUGIY-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 113279219
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
2-amino-N-(oxetan-3-yl)-2-thiophen-2-ylacetamide
CID 115287511
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 115287229
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 115286975
2-amino-N-(2,4-dimethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287324
2-amino-N-(dicyclopropylmethyl)-2-thiophen-2-ylacetamide
CID 115286946
2-amino-N-(6-oxopiperidin-3-yl)-2-thiophen-2-ylacetamide
CID 113279254
2-amino-N-(oxan-3-yl)-2-thiophen-2-ylacetamide
CID 115287272
ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 115285967
2-amino-N-[(1R)-1-cycloheptylethyl]-2-thiophen-2-ylacetamide
CID 115287598

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide?
The IUPAC name of 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide (CID 114096100) is 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide.
What is the SMILES notation for 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide?
The canonical SMILES for 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide is NC(C(=O)NC1C2C3CCC(C3)C12)c1cccs1.
What is the InChIKey of 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide?
The InChIKey is VKXISTYWFBUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-12(9-2-1-5-18-9)14(17)16-13-10-7-3-4-8(6-7)11(10)13/h1-2,5,7-8,10-13H,3-4,6,15H2,(H,16,17).
What are the key properties of 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide?
2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide has a molecular weight of 262.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide is sourced from PubChem (CID 114096100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).