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

C16H21ClN2OS — CID 557620

IUPAC2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCN1C2CCC1CC(NC(=O)CSc1ccc(Cl)cc1)C2
InChIInChI=1S/C16H21ClN2OS/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)
InChIKeyXUJCMFOKNVUYGL-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.17
Rot. Bonds4

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

2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 557620) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID557620
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCN1C2CCC1CC(NC(=O)CSc1ccc(Cl)cc1)C2
InChIInChI=1S/C16H21ClN2OS/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)
InChIKeyXUJCMFOKNVUYGL-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 557620) is 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is CN1C2CCC1CC(NC(=O)CSc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is XUJCMFOKNVUYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/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).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 324.88 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 557620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).