N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide

C12H24N2O4S — CID 20670971

IUPACN-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)N(CSOOO)C(C)(C)C1
InChIInChI=1S/C12H24N2O4S/c1-9(15)13-10-6-11(2,3)14(8-19-18-17-16)12(4,5)7-10/h10,16H,6-8H2,1-5H3,(H,13,15)
InChIKeyUGTYGNYTKQAUEQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.17
Rot. Bonds5

About N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide

N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide (PubChem CID 20670971) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide
PubChem CID20670971
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)N(CSOOO)C(C)(C)C1
InChIInChI=1S/C12H24N2O4S/c1-9(15)13-10-6-11(2,3)14(8-19-18-17-16)12(4,5)7-10/h10,16H,6-8H2,1-5H3,(H,13,15)
InChIKeyUGTYGNYTKQAUEQ-UHFFFAOYSA-N
XLogP2.17
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-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 N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide (CID 20670971) is N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide is CC(=O)NC1CC(C)(C)N(CSOOO)C(C)(C)C1.
What is the InChIKey of N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide?
The InChIKey is UGTYGNYTKQAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9(15)13-10-6-11(2,3)14(8-19-18-17-16)12(4,5)7-10/h10,16H,6-8H2,1-5H3,(H,13,15).
What are the key properties of N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide?
N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 20670971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).