4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione

C11H20N2OS — CID 143368175

IUPAC4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione
SMILES[H]/N=C1\N(C)C(=S)C(C)(C)C(C)(O)C1(C)C
InChIInChI=1S/C11H20N2OS/c1-9(2)7(12)13(6)8(15)10(3,4)11(9,5)14/h12,14H,1-6H3/b12-7-
InChIKeyKFNLBSNCFVUZAE-GHXNOFRVSA-N
MW228.36 g/mol
LogP2.04
Rot. Bonds

About 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione

4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione (PubChem CID 143368175) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione
PubChem CID143368175
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione
SMILES[H]/N=C1\N(C)C(=S)C(C)(C)C(C)(O)C1(C)C
InChIInChI=1S/C11H20N2OS/c1-9(2)7(12)13(6)8(15)10(3,4)11(9,5)14/h12,14H,1-6H3/b12-7-
InChIKeyKFNLBSNCFVUZAE-GHXNOFRVSA-N
XLogP2.04
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione?
The IUPAC name of 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione (CID 143368175) is 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione.
What is the SMILES notation for 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione?
The canonical SMILES for 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione is [H]/N=C1\N(C)C(=S)C(C)(C)C(C)(O)C1(C)C.
What is the InChIKey of 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione?
The InChIKey is KFNLBSNCFVUZAE-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(2)7(12)13(6)8(15)10(3,4)11(9,5)14/h12,14H,1-6H3/b12-7-.
What are the key properties of 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione?
4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione has a molecular weight of 228.36 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-imino-1,3,3,4,5,5-hexamethylpiperidine-2-thione is sourced from PubChem (CID 143368175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).