N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide

C15H28N2OS — CID 61230747

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide
SMILESCCN(C(=O)CSC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2OS/c1-5-17(14(18)10-19-15(2,3)4)13-8-11-6-7-12(9-13)16-11/h11-13,16H,5-10H2,1-4H3
InChIKeyXJRKEBZNVPLFKZ-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.65
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide (PubChem CID 61230747) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide
PubChem CID61230747
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide
SMILESCCN(C(=O)CSC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2OS/c1-5-17(14(18)10-19-15(2,3)4)13-8-11-6-7-12(9-13)16-11/h11-13,16H,5-10H2,1-4H3
InChIKeyXJRKEBZNVPLFKZ-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
CID 61231318
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 61232277
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylpentanamide
CID 114875579
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61231886
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide
CID 114028609
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide
CID 103514114
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpiperidine-1-carboxamide
CID 79155372
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
CID 119459254
2-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81222368
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide
CID 62679594
2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide
CID 60801915

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide (CID 61230747) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide is CCN(C(=O)CSC(C)(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide?
The InChIKey is XJRKEBZNVPLFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-17(14(18)10-19-15(2,3)4)13-8-11-6-7-12(9-13)16-11/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide has a molecular weight of 284.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 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-butylsulfanyl-N-ethylacetamide is sourced from PubChem (CID 61230747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).