2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

C16H21FN2O3S2 — CID 86265036

IUPAC2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCS(=O)(=O)N1C2CCC1CC(NC(=O)CSc1ccc(F)cc1)C2
InChIInChI=1S/C16H21FN2O3S2/c1-24(21,22)19-13-4-5-14(19)9-12(8-13)18-16(20)10-23-15-6-2-11(17)3-7-15/h2-3,6-7,12-14H,4-5,8-10H2,1H3,(H,18,20)
InChIKeyYSVFHRIHIZUUCK-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.99
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 86265036) has the molecular formula C16H21FN2O3S2 and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID86265036
Molecular FormulaC16H21FN2O3S2
Molecular Weight372.49 g/mol
Exact Mass372.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCS(=O)(=O)N1C2CCC1CC(NC(=O)CSc1ccc(F)cc1)C2
InChIInChI=1S/C16H21FN2O3S2/c1-24(21,22)19-13-4-5-14(19)9-12(8-13)18-16(20)10-23-15-6-2-11(17)3-7-15/h2-3,6-7,12-14H,4-5,8-10H2,1H3,(H,18,20)
InChIKeyYSVFHRIHIZUUCK-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 86265036) is 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is CS(=O)(=O)N1C2CCC1CC(NC(=O)CSc1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is YSVFHRIHIZUUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S2/c1-24(21,22)19-13-4-5-14(19)9-12(8-13)18-16(20)10-23-15-6-2-11(17)3-7-15/h2-3,6-7,12-14H,4-5,8-10H2,1H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 86265036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).