1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C16H32N2O2S — CID 106732916

IUPAC1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCCS(=O)(=O)CCN1CC(C(C)C)NCC12CCCCC2
InChIInChI=1S/C16H32N2O2S/c1-4-21(19,20)11-10-18-12-15(14(2)3)17-13-16(18)8-6-5-7-9-16/h14-15,17H,4-13H2,1-3H3
InChIKeyQZXLLYVNYNPHPJ-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 106732916) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID106732916
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCCS(=O)(=O)CCN1CC(C(C)C)NCC12CCCCC2
InChIInChI=1S/C16H32N2O2S/c1-4-21(19,20)11-10-18-12-15(14(2)3)17-13-16(18)8-6-5-7-9-16/h14-15,17H,4-13H2,1-3H3
InChIKeyQZXLLYVNYNPHPJ-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 106732813
1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64839273
3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733303
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
CID 106733011
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569
8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64844749
3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80696604
1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107901489
1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 82872305

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 106732916) is 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CCS(=O)(=O)CCN1CC(C(C)C)NCC12CCCCC2.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is QZXLLYVNYNPHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-4-21(19,20)11-10-18-12-15(14(2)3)17-13-16(18)8-6-5-7-9-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 316.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 106732916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).