2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one

C11H18N2O3S — CID 68756517

IUPAC2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(S(=O)(=O)C2CC2)CCC12CCNCC2
InChIInChI=1S/C11H18N2O3S/c14-10-11(3-6-12-7-4-11)5-8-13(10)17(15,16)9-1-2-9/h9,12H,1-8H2
InChIKeyXSLAXOMQYQVCKJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.08
Rot. Bonds2

About 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one

2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 68756517) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID68756517
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(S(=O)(=O)C2CC2)CCC12CCNCC2
InChIInChI=1S/C11H18N2O3S/c14-10-11(3-6-12-7-4-11)5-8-13(10)17(15,16)9-1-2-9/h9,12H,1-8H2
InChIKeyXSLAXOMQYQVCKJ-UHFFFAOYSA-N
XLogP0.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one (CID 68756517) is 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one is O=C1N(S(=O)(=O)C2CC2)CCC12CCNCC2.
What is the InChIKey of 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XSLAXOMQYQVCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-10-11(3-6-12-7-4-11)5-8-13(10)17(15,16)9-1-2-9/h9,12H,1-8H2.
What are the key properties of 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one?
2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 258.34 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 68756517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).