1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine

C10H21NOS — CID 169238949

IUPAC1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine
SMILESCN1C(C)(C)CC(OS)CC1(C)C
InChIInChI=1S/C10H21NOS/c1-9(2)6-8(12-13)7-10(3,4)11(9)5/h8,13H,6-7H2,1-5H3
InChIKeyAEOAHAFQJCUSMY-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.50
Rot. Bonds1

About 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine

1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine (PubChem CID 169238949) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine
PubChem CID169238949
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine
SMILESCN1C(C)(C)CC(OS)CC1(C)C
InChIInChI=1S/C10H21NOS/c1-9(2)6-8(12-13)7-10(3,4)11(9)5/h8,13H,6-7H2,1-5H3
InChIKeyAEOAHAFQJCUSMY-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine (CID 169238949) is 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine is CN1C(C)(C)CC(OS)CC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine?
The InChIKey is AEOAHAFQJCUSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2)6-8(12-13)7-10(3,4)11(9)5/h8,13H,6-7H2,1-5H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine?
1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine has a molecular weight of 203.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine is sourced from PubChem (CID 169238949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).