1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone

C9H16N2O3S — CID 155872480

IUPAC1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
SMILESCC(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C9H16N2O3S/c1-8(12)10-5-9(6-10)3-4-11(7-9)15(2,13)14/h3-7H2,1-2H3
InChIKeyLFCNGESKMBYXOT-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.50
Rot. Bonds1

About 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone

1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone (PubChem CID 155872480) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
PubChem CID155872480
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
SMILESCC(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C9H16N2O3S/c1-8(12)10-5-9(6-10)3-4-11(7-9)15(2,13)14/h3-7H2,1-2H3
InChIKeyLFCNGESKMBYXOT-UHFFFAOYSA-N
XLogP-0.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-methylcyclopropyl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 97392876
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octane-2-carbonyl)cyclopentane-1-carbonitrile
CID 131685321
1-[5-(7-methylsulfonyl-2,7-diazaspiro[3.4]octane-2-carbonyl)-1H-pyrazol-3-yl]ethanone
CID 131686235
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 155062113
7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
CID 12691872
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131680204
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 166713434

Frequently Asked Questions

What is the IUPAC name of 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone?
The IUPAC name of 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone (CID 155872480) is 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone.
What is the SMILES notation for 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone?
The canonical SMILES for 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone is CC(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone?
The InChIKey is LFCNGESKMBYXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-8(12)10-5-9(6-10)3-4-11(7-9)15(2,13)14/h3-7H2,1-2H3.
What are the key properties of 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone?
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone has a molecular weight of 232.30 g/mol, XLogP of -0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone is sourced from PubChem (CID 155872480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).