4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

C15H30N2O2S — CID 71861834

IUPAC4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCS(=O)(=O)CCN1CCN(C)CC12CCCCC2
InChIInChI=1S/C15H30N2O2S/c1-3-12-20(18,19)13-11-17-10-9-16(2)14-15(17)7-5-4-6-8-15/h3-14H2,1-2H3
InChIKeyGVRWSHBZVFQAMA-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.76
Rot. Bonds5

About 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 71861834) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID71861834
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCS(=O)(=O)CCN1CCN(C)CC12CCCCC2
InChIInChI=1S/C15H30N2O2S/c1-3-12-20(18,19)13-11-17-10-9-16(2)14-15(17)7-5-4-6-8-15/h3-14H2,1-2H3
InChIKeyGVRWSHBZVFQAMA-UHFFFAOYSA-N
XLogP1.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 645719
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CID 777548
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CID 71976335
CID 71976335
CID 3145559
CID 3145559
CID 23523715
CID 23523715
CID 58283240
CID 58283240
CID 58437981
CID 58437981
CID 58561727
CID 58561727
CID 58561956
CID 58561956
CID 59639411
CID 59639411
CID 68067734
CID 68067734
CID 68260687
CID 68260687

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (CID 71861834) is 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is CCCS(=O)(=O)CCN1CCN(C)CC12CCCCC2.
What is the InChIKey of 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is GVRWSHBZVFQAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-3-12-20(18,19)13-11-17-10-9-16(2)14-15(17)7-5-4-6-8-15/h3-14H2,1-2H3.
What are the key properties of 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 302.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 71861834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).