2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide

C16H28N2OS — CID 103812899

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide
SMILESCCSC1CCCC1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H28N2OS/c1-2-20-15-5-3-4-14(15)18-16(19)10-11-8-12-6-7-13(9-11)17-12/h11-15,17H,2-10H2,1H3,(H,18,19)
InChIKeyDCPQQUHAESAYAQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.70
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide (PubChem CID 103812899) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide
PubChem CID103812899
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide
SMILESCCSC1CCCC1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H28N2OS/c1-2-20-15-5-3-4-14(15)18-16(19)10-11-8-12-6-7-13(9-11)17-12/h11-15,17H,2-10H2,1H3,(H,18,19)
InChIKeyDCPQQUHAESAYAQ-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide (CID 103812899) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide is CCSC1CCCC1NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide?
The InChIKey is DCPQQUHAESAYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-2-20-15-5-3-4-14(15)18-16(19)10-11-8-12-6-7-13(9-11)17-12/h11-15,17H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide has a molecular weight of 296.48 g/mol, XLogP of 2.70, 5 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-(2-ethylsulfanylcyclopentyl)acetamide is sourced from PubChem (CID 103812899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).