2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

C14H21ClN2OS — CID 119679299

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCc1cccs1
InChIInChI=1S/C14H20N2OS.ClH/c17-14(15-9-13-2-1-5-18-13)8-10-6-11-3-4-12(7-10)16-11;/h1-2,5,10-12,16H,3-4,6-9H2,(H,15,17);1H
InChIKeyPAWYLBDVSRZUJX-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.71
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119679299) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
PubChem CID119679299
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCc1cccs1
InChIInChI=1S/C14H20N2OS.ClH/c17-14(15-9-13-2-1-5-18-13)8-10-6-11-3-4-12(7-10)16-11;/h1-2,5,10-12,16H,3-4,6-9H2,(H,15,17);1H
InChIKeyPAWYLBDVSRZUJX-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764467
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119458002
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759073
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 119744636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698670
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 119813695
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381324

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (CID 119679299) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCc1cccs1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is PAWYLBDVSRZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c17-14(15-9-13-2-1-5-18-13)8-10-6-11-3-4-12(7-10)16-11;/h1-2,5,10-12,16H,3-4,6-9H2,(H,15,17);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119679299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).