N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide

C25H52N2OS — CID 121405366

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide
SMILESCCCCCCCCCCCCCCCCS(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H52N2OS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(28)26-23-21-24(2,3)27-25(4,5)22-23/h23,26-27H,6-22H2,1-5H3
InChIKeyCCIWHSABMWIWHZ-UHFFFAOYSA-N
MW428.77 g/mol
LogP7.03
Rot. Bonds17

About N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide (PubChem CID 121405366) has the molecular formula C25H52N2OS and a molecular weight of 428.77 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide
PubChem CID121405366
Molecular FormulaC25H52N2OS
Molecular Weight428.77 g/mol
Exact Mass428.38
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide
SMILESCCCCCCCCCCCCCCCCS(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H52N2OS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(28)26-23-21-24(2,3)27-25(4,5)22-23/h23,26-27H,6-22H2,1-5H3
InChIKeyCCIWHSABMWIWHZ-UHFFFAOYSA-N
XLogP7.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide (CID 121405366) is N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide is CCCCCCCCCCCCCCCCS(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide?
The InChIKey is CCIWHSABMWIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2OS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(28)26-23-21-24(2,3)27-25(4,5)22-23/h23,26-27H,6-22H2,1-5H3.
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide has a molecular weight of 428.77 g/mol, XLogP of 7.03, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide is sourced from PubChem (CID 121405366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).