6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C11H20N2O3S — CID 83256700

IUPAC6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-8(2)9-12-11(4-5-11)10(14)13(9)6-7-17(3,15)16/h8-9,12H,4-7H2,1-3H3
InChIKeyOZRCGHDHDQSXRV-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.02
Rot. Bonds4

About 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83256700) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83256700
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-8(2)9-12-11(4-5-11)10(14)13(9)6-7-17(3,15)16/h8-9,12H,4-7H2,1-3H3
InChIKeyOZRCGHDHDQSXRV-UHFFFAOYSA-N
XLogP-0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
CID 83256480
6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256857
9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885124
6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83265028
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83255752
3-[2-[ethyl(methyl)amino]ethyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83254466
3-[(1-methylcyclopentyl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83257924
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83248460
6-(dicyclopropylmethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252344
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83256700) is 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC(C)C1NC2(CC2)C(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is OZRCGHDHDQSXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)9-12-11(4-5-11)10(14)13(9)6-7-17(3,15)16/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 260.36 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83256700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).