6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane

C14H19NO2S — CID 168897842

IUPAC6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane
SMILESCC1CC2(CCC2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-12-10-14(8-5-9-14)11-15(12)18(16,17)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKeySBEUDXWUGWZHEL-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.64
Rot. Bonds2

About 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane

6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane (PubChem CID 168897842) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane
PubChem CID168897842
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane
SMILESCC1CC2(CCC2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-12-10-14(8-5-9-14)11-15(12)18(16,17)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKeySBEUDXWUGWZHEL-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfonyl)-2,5,5-trimethylpiperidine
CID 24799740
3-methyl-2-(2-nitrophenyl)sulfonyl-2-azaspiro[4.5]decane
CID 177419230
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 15707467
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
(1S,5S)-6-(benzenesulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 124544612
6-(benzenesulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 60639753
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
(2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol
CID 6565192

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane?
The IUPAC name of 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane (CID 168897842) is 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane?
The canonical SMILES for 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane is CC1CC2(CCC2)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane?
The InChIKey is SBEUDXWUGWZHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-12-10-14(8-5-9-14)11-15(12)18(16,17)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3.
What are the key properties of 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane?
6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane has a molecular weight of 265.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 168897842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).