1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine

C15H29NO2S2 — CID 173406749

IUPAC1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=S=CCCCCC=S=O
InChIInChI=1S/C9H19N.C6H10O2S2/c1-8(2)6-5-7-9(3,4)10-8;7-9-5-3-1-2-4-6-10-8/h10H,5-7H2,1-4H3;5-6H,1-4H2
InChIKeyLFKQZWBANREJHQ-UHFFFAOYSA-N
MW319.54 g/mol
LogP2.89
Rot. Bonds5

About 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine

1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine (PubChem CID 173406749) has the molecular formula C15H29NO2S2 and a molecular weight of 319.54 g/mol. Its IUPAC name is 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine
PubChem CID173406749
Molecular FormulaC15H29NO2S2
Molecular Weight319.54 g/mol
Exact Mass319.16
IUPAC Name1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=S=CCCCCC=S=O
InChIInChI=1S/C9H19N.C6H10O2S2/c1-8(2)6-5-7-9(3,4)10-8;7-9-5-3-1-2-4-6-10-8/h10H,5-7H2,1-4H3;5-6H,1-4H2
InChIKeyLFKQZWBANREJHQ-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine (CID 173406749) is 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1.O=S=CCCCCC=S=O.
What is the InChIKey of 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine?
The InChIKey is LFKQZWBANREJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C6H10O2S2/c1-8(2)6-5-7-9(3,4)10-8;7-9-5-3-1-2-4-6-10-8/h10H,5-7H2,1-4H3;5-6H,1-4H2.
What are the key properties of 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine?
1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine has a molecular weight of 319.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-disulfinylhexane;2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 173406749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).