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

C13H25ClN2OS — CID 119459254

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
SMILESCC(C)(C)SCC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C13H24N2OS.ClH/c1-13(2,3)17-8-12(16)15-11-6-9-4-5-10(7-11)14-9;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H
InChIKeyDTUMKJOOBPOFRF-UHFFFAOYSA-N
MW292.88 g/mol
LogP2.34
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride (PubChem CID 119459254) has the molecular formula C13H25ClN2OS and a molecular weight of 292.88 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
PubChem CID119459254
Molecular FormulaC13H25ClN2OS
Molecular Weight292.88 g/mol
Exact Mass292.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
SMILESCC(C)(C)SCC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C13H24N2OS.ClH/c1-13(2,3)17-8-12(16)15-11-6-9-4-5-10(7-11)14-9;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H
InChIKeyDTUMKJOOBPOFRF-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.88
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 119456893
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
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-methylbutanamide;hydrochloride
CID 119457462
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropanamide
CID 61237375
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide
CID 94547727
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)-3-methoxypropanamide
CID 62589135
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
CID 119458518

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride (CID 119459254) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride is CC(C)(C)SCC(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride?
The InChIKey is DTUMKJOOBPOFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS.ClH/c1-13(2,3)17-8-12(16)15-11-6-9-4-5-10(7-11)14-9;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride has a molecular weight of 292.88 g/mol, XLogP of 2.34, 3 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-tert-butylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 119459254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).