8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one

C12H22N2O3S — CID 59577951

IUPAC8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CS(=O)(=O)N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-10(2)9-18(16,17)14-7-4-12(5-8-14)3-6-13-11(12)15/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyJWMPUFMYJOWAEH-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.57
Rot. Bonds3

About 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one

8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 59577951) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID59577951
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CS(=O)(=O)N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-10(2)9-18(16,17)14-7-4-12(5-8-14)3-6-13-11(12)15/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyJWMPUFMYJOWAEH-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 59577951) is 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)CS(=O)(=O)N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JWMPUFMYJOWAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10(2)9-18(16,17)14-7-4-12(5-8-14)3-6-13-11(12)15/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 274.39 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 59577951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).