N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride

C12H23ClN2OS — CID 119456893

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride
SMILESCCCSCC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C12H22N2OS.ClH/c1-2-5-16-8-12(15)14-11-6-9-3-4-10(7-11)13-9;/h9-11,13H,2-8H2,1H3,(H,14,15);1H
InChIKeyHNSXAGXPPVGHFK-UHFFFAOYSA-N
MW278.85 g/mol
LogP1.95
Rot. Bonds5

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride (PubChem CID 119456893) has the molecular formula C12H23ClN2OS and a molecular weight of 278.85 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride
PubChem CID119456893
Molecular FormulaC12H23ClN2OS
Molecular Weight278.85 g/mol
Exact Mass278.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride
SMILESCCCSCC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C12H22N2OS.ClH/c1-2-5-16-8-12(15)14-11-6-9-3-4-10(7-11)13-9;/h9-11,13H,2-8H2,1H3,(H,14,15);1H
InChIKeyHNSXAGXPPVGHFK-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.85
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
CID 119459254
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
CID 119458518
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride
CID 119456810
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
CID 119457019
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119459341
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methylcyclopentyl)acetamide
CID 119457969
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 119457026
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride (CID 119456893) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride is CCCSCC(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride?
The InChIKey is HNSXAGXPPVGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS.ClH/c1-2-5-16-8-12(15)14-11-6-9-3-4-10(7-11)13-9;/h9-11,13H,2-8H2,1H3,(H,14,15);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride has a molecular weight of 278.85 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 119456893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).