N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide

C17H24N2OS — CID 557617

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C17H24N2OS/c1-12-3-7-16(8-4-12)21-11-17(20)18-13-9-14-5-6-15(10-13)19(14)2/h3-4,7-8,13-15H,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyVHAKNVSFJRCYOX-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.83
Rot. Bonds4

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 557617) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID557617
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C17H24N2OS/c1-12-3-7-16(8-4-12)21-11-17(20)18-13-9-14-5-6-15(10-13)19(14)2/h3-4,7-8,13-15H,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyVHAKNVSFJRCYOX-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
1-[2-(4-Methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
CID 886822
2-((4-tert-Butylphenyl)sulfanyl)-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)acetamide
CID 557618
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239
2-[(4-Methylphenyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
CID 875861
4-Methylphenyl 3-(4-methyl-1-piperidinyl)-3-oxopropyl sulfide
CID 900529
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]acetamide
CID 2175467
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]propanamide
CID 2947047
2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
N-cycloheptyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 895771
1-[2-(4-Methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 2947690
2-(4-Methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23877968

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide (CID 557617) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC2CC3CCC(C2)N3C)cc1.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is VHAKNVSFJRCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12-3-7-16(8-4-12)21-11-17(20)18-13-9-14-5-6-15(10-13)19(14)2/h3-4,7-8,13-15H,5-6,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 304.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 557617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).