3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

C16H32N2O2S — CID 106732966

IUPAC3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)S(=O)(=O)CCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C16H32N2O2S/c1-14(2)21(19,20)11-10-18-13-15(3,4)17-12-16(18)8-6-5-7-9-16/h14,17H,5-13H2,1-4H3
InChIKeyZHZGYOLXOMQDEN-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.20
Rot. Bonds4

About 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 106732966) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID106732966
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)S(=O)(=O)CCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C16H32N2O2S/c1-14(2)21(19,20)11-10-18-13-15(3,4)17-12-16(18)8-6-5-7-9-16/h14,17H,5-13H2,1-4H3
InChIKeyZHZGYOLXOMQDEN-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732951
8,8-dimethyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64842470
3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
CID 83168130
3,3-dimethyl-1-(2-propan-2-yloxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64841115
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
CID 106733011
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 106458594
3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458595
5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733253
6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 82923848
3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane
CID 107901521
16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane
CID 64877449

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (CID 106732966) is 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is CC(C)S(=O)(=O)CCN1CC(C)(C)NCC12CCCCC2.
What is the InChIKey of 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZHZGYOLXOMQDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-14(2)21(19,20)11-10-18-13-15(3,4)17-12-16(18)8-6-5-7-9-16/h14,17H,5-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 316.51 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 106732966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).