2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C17H26N2OS — CID 894785

IUPAC2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CSc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C17H26N2OS/c1-16(2)10-13(11-17(3,4)19-16)18-15(20)12-21-14-8-6-5-7-9-14/h5-9,13,19H,10-12H2,1-4H3,(H,18,20)
InChIKeyUIBGYDQFKFTRHZ-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.20
Rot. Bonds4

About 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 894785) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID894785
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CSc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C17H26N2OS/c1-16(2)10-13(11-17(3,4)19-16)18-15(20)12-21-14-8-6-5-7-9-14/h5-9,13,19H,10-12H2,1-4H3,(H,18,20)
InChIKeyUIBGYDQFKFTRHZ-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 894785) is 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)CSc2ccccc2)CC(C)(C)N1.
What is the InChIKey of 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is UIBGYDQFKFTRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-16(2)10-13(11-17(3,4)19-16)18-15(20)12-21-14-8-6-5-7-9-14/h5-9,13,19H,10-12H2,1-4H3,(H,18,20).
What are the key properties of 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 306.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 894785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).