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

C12H23N2NaO4S — CID 20670970

IUPACsodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)N(CSOO[O-])C(C)(C)C1.[Na+]
InChIInChI=1S/C12H24N2O4S.Na/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);/q;+1/p-1
InChIKeyCOEIQIWPJOIVDP-UHFFFAOYSA-M
MW314.38 g/mol
LogP-2.02
Rot. Bonds5

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

sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide (PubChem CID 20670970) has the molecular formula C12H23N2NaO4S and a molecular weight of 314.38 g/mol. Its IUPAC name is sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Namesodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide
PubChem CID20670970
Molecular FormulaC12H23N2NaO4S
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Namesodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)N(CSOO[O-])C(C)(C)C1.[Na+]
InChIInChI=1S/C12H24N2O4S.Na/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);/q;+1/p-1
InChIKeyCOEIQIWPJOIVDP-UHFFFAOYSA-M
XLogP-2.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide (CID 20670970) is sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide is CC(=O)NC1CC(C)(C)N(CSOO[O-])C(C)(C)C1.[Na+].
What is the InChIKey of sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide?
The InChIKey is COEIQIWPJOIVDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24N2O4S.Na/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);/q;+1/p-1.
What are the key properties of sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide?
sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide has a molecular weight of 314.38 g/mol, XLogP of -2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[2,2,6,6-tetramethyl-1-(oxidoperoxysulfanylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 20670970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).