2-propylsulfonyl-2,8-diazaspiro[4.5]decane

C11H22N2O2S — CID 83723515

IUPAC2-propylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CCC2(CCNCC2)C1
InChIInChI=1S/C11H22N2O2S/c1-2-9-16(14,15)13-8-5-11(10-13)3-6-12-7-4-11/h12H,2-10H2,1H3
InChIKeyGPLZBOCAGNXQRV-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.80
Rot. Bonds3

About 2-propylsulfonyl-2,8-diazaspiro[4.5]decane

2-propylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 83723515) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-propylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-propylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID83723515
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-propylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CCC2(CCNCC2)C1
InChIInChI=1S/C11H22N2O2S/c1-2-9-16(14,15)13-8-5-11(10-13)3-6-12-7-4-11/h12H,2-10H2,1H3
InChIKeyGPLZBOCAGNXQRV-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-propylsulfonyl-2,8-diazaspiro[4.5]decane (CID 83723515) is 2-propylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-propylsulfonyl-2,8-diazaspiro[4.5]decane is CCCS(=O)(=O)N1CCC2(CCNCC2)C1.
What is the InChIKey of 2-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is GPLZBOCAGNXQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-9-16(14,15)13-8-5-11(10-13)3-6-12-7-4-11/h12H,2-10H2,1H3.
What are the key properties of 2-propylsulfonyl-2,8-diazaspiro[4.5]decane?
2-propylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 246.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 83723515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).