6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride

C9H14ClNO3S — CID 64664276

IUPAC6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
SMILESCC1CCCC2(CC(=O)N2S(=O)(=O)Cl)C1
InChIInChI=1S/C9H14ClNO3S/c1-7-3-2-4-9(5-7)6-8(12)11(9)15(10,13)14/h7H,2-6H2,1H3
InChIKeyCWCOYNFOCANFOT-UHFFFAOYSA-N
MW251.73 g/mol
LogP1.65
Rot. Bonds1

About 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride

6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride (PubChem CID 64664276) has the molecular formula C9H14ClNO3S and a molecular weight of 251.73 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride.

Molecular Properties

Compound Name6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
PubChem CID64664276
Molecular FormulaC9H14ClNO3S
Molecular Weight251.73 g/mol
Exact Mass251.04
IUPAC Name6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
SMILESCC1CCCC2(CC(=O)N2S(=O)(=O)Cl)C1
InChIInChI=1S/C9H14ClNO3S/c1-7-3-2-4-9(5-7)6-8(12)11(9)15(10,13)14/h7H,2-6H2,1H3
InChIKeyCWCOYNFOCANFOT-UHFFFAOYSA-N
XLogP1.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.73
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664074
2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64666174
6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664495
(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one
CID 163396323
(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489566
1,1-bis(ethylsulfonyl)-3-methylcyclohexane
CID 121220475
3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione
CID 119092959
(5R,8S)-1,8-dimethyl-1-azaspiro[4.4]nonane
CID 169125835
1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one
CID 130927733
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 61291676
1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455
3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 61292826

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The IUPAC name of 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride (CID 64664276) is 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride.
What is the SMILES notation for 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The canonical SMILES for 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride is CC1CCCC2(CC(=O)N2S(=O)(=O)Cl)C1.
What is the InChIKey of 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The InChIKey is CWCOYNFOCANFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO3S/c1-7-3-2-4-9(5-7)6-8(12)11(9)15(10,13)14/h7H,2-6H2,1H3.
What are the key properties of 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride has a molecular weight of 251.73 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride is sourced from PubChem (CID 64664276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).