6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride

C11H18ClNO3S — CID 64664074

IUPAC6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
SMILESCC1CC(C)(C)CC2(CC(=O)N2S(=O)(=O)Cl)C1
InChIInChI=1S/C11H18ClNO3S/c1-8-4-10(2,3)7-11(5-8)6-9(14)13(11)17(12,15)16/h8H,4-7H2,1-3H3
InChIKeyMAXJAOZCTDIEMT-UHFFFAOYSA-N
MW279.79 g/mol
LogP2.29
Rot. Bonds1

About 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride

6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride (PubChem CID 64664074) has the molecular formula C11H18ClNO3S and a molecular weight of 279.79 g/mol. Its IUPAC name is 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride.

Molecular Properties

Compound Name6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
PubChem CID64664074
Molecular FormulaC11H18ClNO3S
Molecular Weight279.79 g/mol
Exact Mass279.07
IUPAC Name6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
SMILESCC1CC(C)(C)CC2(CC(=O)N2S(=O)(=O)Cl)C1
InChIInChI=1S/C11H18ClNO3S/c1-8-4-10(2,3)7-11(5-8)6-9(14)13(11)17(12,15)16/h8H,4-7H2,1-3H3
InChIKeyMAXJAOZCTDIEMT-UHFFFAOYSA-N
XLogP2.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The IUPAC name of 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride (CID 64664074) is 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride.
What is the SMILES notation for 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The canonical SMILES for 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride is CC1CC(C)(C)CC2(CC(=O)N2S(=O)(=O)Cl)C1.
What is the InChIKey of 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The InChIKey is MAXJAOZCTDIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO3S/c1-8-4-10(2,3)7-11(5-8)6-9(14)13(11)17(12,15)16/h8H,4-7H2,1-3H3.
What are the key properties of 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride has a molecular weight of 279.79 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride is sourced from PubChem (CID 64664074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).