1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea

C12H25N3OS — CID 154084290

IUPAC1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea
SMILESCNC(=S)N(C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C12H25N3OS/c1-11(2)8-7-9-12(3,4)15(11)16-14(6)10(17)13-5/h7-9H2,1-6H3,(H,13,17)
InChIKeyRBUXNNLHIXUKOM-UHFFFAOYSA-N
MW259.42 g/mol
LogP2.31
Rot. Bonds2

About 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea

1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea (PubChem CID 154084290) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea.

Molecular Properties

Compound Name1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea
PubChem CID154084290
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea
SMILESCNC(=S)N(C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C12H25N3OS/c1-11(2)8-7-9-12(3,4)15(11)16-14(6)10(17)13-5/h7-9H2,1-6H3,(H,13,17)
InChIKeyRBUXNNLHIXUKOM-UHFFFAOYSA-N
XLogP2.31
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2,2,6,6-tetramethylpiperidin-1-yl) N-methylcarbamate
CID 167207080
[(carbamothioylamino)-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino] dihydrogen phosphate
CID 139651681
ethane;N-methyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetamide
CID 170609324
(2,2,6,6-tetramethylpiperidin-1-yl) N,N-dimethylcarbamate
CID 10242897
N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide
CID 157064215
1-methoxy-2,2,6,6-tetramethylpiperidine
CID 5074768
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea
CID 105413660
3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
CID 91549508
tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite
CID 22420378
(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen carbonate
CID 22150807
2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine
CID 87238095
N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyformamide
CID 57284527

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea?
The IUPAC name of 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea (CID 154084290) is 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea.
What is the SMILES notation for 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea?
The canonical SMILES for 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea is CNC(=S)N(C)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea?
The InChIKey is RBUXNNLHIXUKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-11(2)8-7-9-12(3,4)15(11)16-14(6)10(17)13-5/h7-9H2,1-6H3,(H,13,17).
What are the key properties of 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea?
1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea has a molecular weight of 259.42 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea is sourced from PubChem (CID 154084290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).