6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride

C9H14ClNO4S — CID 64664495

IUPAC6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
SMILESCC1(C)CC2(CCO1)CC(=O)N2S(=O)(=O)Cl
InChIInChI=1S/C9H14ClNO4S/c1-8(2)6-9(3-4-15-8)5-7(12)11(9)16(10,13)14/h3-6H2,1-2H3
InChIKeyLKKFKGWCRZKVSW-UHFFFAOYSA-N
MW267.73 g/mol
LogP1.03
Rot. Bonds1

About 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride

6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride (PubChem CID 64664495) has the molecular formula C9H14ClNO4S and a molecular weight of 267.73 g/mol. Its IUPAC name is 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride.

Molecular Properties

Compound Name6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
PubChem CID64664495
Molecular FormulaC9H14ClNO4S
Molecular Weight267.73 g/mol
Exact Mass267.03
IUPAC Name6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
SMILESCC1(C)CC2(CCO1)CC(=O)N2S(=O)(=O)Cl
InChIInChI=1S/C9H14ClNO4S/c1-8(2)6-9(3-4-15-8)5-7(12)11(9)16(10,13)14/h3-6H2,1-2H3
InChIKeyLKKFKGWCRZKVSW-UHFFFAOYSA-N
XLogP1.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The IUPAC name of 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride (CID 64664495) is 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride.
What is the SMILES notation for 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The canonical SMILES for 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride is CC1(C)CC2(CCO1)CC(=O)N2S(=O)(=O)Cl.
What is the InChIKey of 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The InChIKey is LKKFKGWCRZKVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO4S/c1-8(2)6-9(3-4-15-8)5-7(12)11(9)16(10,13)14/h3-6H2,1-2H3.
What are the key properties of 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride has a molecular weight of 267.73 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride is sourced from PubChem (CID 64664495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).