2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C16H21FN2OS — CID 6928663

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCN1[C@@H]2CC[C@@H]1CC(NC(=O)CSc1ccc(F)cc1)C2
InChIInChI=1S/C16H21FN2OS/c1-19-13-4-5-14(19)9-12(8-13)18-16(20)10-21-15-6-2-11(17)3-7-15/h2-3,6-7,12-14H,4-5,8-10H2,1H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyHFTXOHSHEMJHBB-ZIAGYGMSSA-N
MW308.42 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 6928663) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID6928663
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCN1[C@@H]2CC[C@@H]1CC(NC(=O)CSc1ccc(F)cc1)C2
InChIInChI=1S/C16H21FN2OS/c1-19-13-4-5-14(19)9-12(8-13)18-16(20)10-21-15-6-2-11(17)3-7-15/h2-3,6-7,12-14H,4-5,8-10H2,1H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyHFTXOHSHEMJHBB-ZIAGYGMSSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide with MolForge

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Related Compounds

N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
CID 11859507
methyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 86841431
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
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 119457026
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284425
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 64814124
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55745273
2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103279828
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
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
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119459341

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 6928663) is 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CN1[C@@H]2CC[C@@H]1CC(NC(=O)CSc1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is HFTXOHSHEMJHBB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-19-13-4-5-14(19)9-12(8-13)18-16(20)10-21-15-6-2-11(17)3-7-15/h2-3,6-7,12-14H,4-5,8-10H2,1H3,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 308.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 6928663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).