2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one

C12H22N2O3S — CID 83262988

IUPAC2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(CS(C)(=O)=O)N1C(=O)C2(CCCC2)NC1C
InChIInChI=1S/C12H22N2O3S/c1-9(8-18(3,16)17)14-10(2)13-12(11(14)15)6-4-5-7-12/h9-10,13H,4-8H2,1-3H3
InChIKeyNLPVICQTVRWTGH-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.51
Rot. Bonds3

About 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one

2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83262988) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83262988
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(CS(C)(=O)=O)N1C(=O)C2(CCCC2)NC1C
InChIInChI=1S/C12H22N2O3S/c1-9(8-18(3,16)17)14-10(2)13-12(11(14)15)6-4-5-7-12/h9-10,13H,4-8H2,1-3H3
InChIKeyNLPVICQTVRWTGH-UHFFFAOYSA-N
XLogP0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973042
3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83244515
6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973062
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83262831
5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83263978
2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264245
3-[4-(dimethylamino)butyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83247462
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83262988) is 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one is CC(CS(C)(=O)=O)N1C(=O)C2(CCCC2)NC1C.
What is the InChIKey of 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is NLPVICQTVRWTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9(8-18(3,16)17)14-10(2)13-12(11(14)15)6-4-5-7-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 274.39 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83262988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).