N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide

C16H22N2OS — CID 11859507

IUPACN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)CSc1ccccc1)C2
InChIInChI=1S/C16H22N2OS/c1-18-13-7-8-14(18)10-12(9-13)17-16(19)11-20-15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,17,19)/t12?,13-,14+
InChIKeyCYOVOIGRSWHWMP-AGUYFDCRSA-N
MW290.43 g/mol
LogP2.52
Rot. Bonds4

About N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide

N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide (PubChem CID 11859507) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
PubChem CID11859507
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)CSc1ccccc1)C2
InChIInChI=1S/C16H22N2OS/c1-18-13-7-8-14(18)10-12(9-13)17-16(19)11-20-15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,17,19)/t12?,13-,14+
InChIKeyCYOVOIGRSWHWMP-AGUYFDCRSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide with MolForge

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 6928663
3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031331
2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 2802758
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
CID 130663104
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
N-(1-benzylpiperidin-1-ium-4-yl)-2-phenylsulfanylacetamide
CID 7354720
2-(4-chlorophenyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetamide
CID 166244673
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 6928693
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
CID 65471032

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide (CID 11859507) is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide is CN1[C@@H]2CC[C@H]1CC(NC(=O)CSc1ccccc1)C2.
What is the InChIKey of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide?
The InChIKey is CYOVOIGRSWHWMP-AGUYFDCRSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-18-13-7-8-14(18)10-12(9-13)17-16(19)11-20-15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,17,19)/t12?,13-,14+.
What are the key properties of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide?
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide has a molecular weight of 290.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 11859507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).