N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide

C17H24N2OS — CID 119458117

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C17H24N2OS/c1-11(2)21-16-6-4-3-5-15(16)17(20)19-14-9-12-7-8-13(10-14)18-12/h3-6,11-14,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyCUMFVZZGTQFKPD-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.20
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide (PubChem CID 119458117) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
PubChem CID119458117
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C17H24N2OS/c1-11(2)21-16-6-4-3-5-15(16)17(20)19-14-9-12-7-8-13(10-14)18-12/h3-6,11-14,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyCUMFVZZGTQFKPD-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
CID 119456900
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119456473
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 119456604
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
CID 119456565
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119459094
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
CID 119455037
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide (CID 119458117) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide?
The InChIKey is CUMFVZZGTQFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)21-16-6-4-3-5-15(16)17(20)19-14-9-12-7-8-13(10-14)18-12/h3-6,11-14,18H,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide has a molecular weight of 304.46 g/mol, XLogP of 3.20, 4 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-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 119458117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).