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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Related Compounds

2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64666174
6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664074
6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664276
7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride
CID 130555346
2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
CID 64665755
2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
CID 12874034
2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
CID 6946481
7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359842
4-imino-1,7,7-trimethyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138388521
(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride
CID 130681680
2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
CID 143147006
2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride
CID 64665752

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).