N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C17H24N2OS — CID 90616117

IUPACN-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCSC1CC2CCC(C1)N2C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-11-4-5-13(8-12(11)2)18-17(20)19-14-6-7-15(19)10-16(9-14)21-3/h4-5,8,14-16H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeyFZJIBYGFGZIGLV-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.19
Rot. Bonds2

About N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 90616117) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID90616117
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCSC1CC2CCC(C1)N2C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-11-4-5-13(8-12(11)2)18-17(20)19-14-6-7-15(19)10-16(9-14)21-3/h4-5,8,14-16H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeyFZJIBYGFGZIGLV-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
(1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129409722
(1S,5S)-N-(2,3-dimethoxyphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129409738
N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63762447
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(4-methyl-3-pyrimidin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176631
N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941371
N-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90616129
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 90616117) is N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide is CSC1CC2CCC(C1)N2C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is FZJIBYGFGZIGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11-4-5-13(8-12(11)2)18-17(20)19-14-6-7-15(19)10-16(9-14)21-3/h4-5,8,14-16H,6-7,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 90616117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).