8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane

C15H30N2O2S — CID 106733011

IUPAC8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(CCS(=O)(=O)C(C)C)C2(CCCC2)CN1
InChIInChI=1S/C15H30N2O2S/c1-4-14-11-17(9-10-20(18,19)13(2)3)15(12-16-14)7-5-6-8-15/h13-14,16H,4-12H2,1-3H3
InChIKeyITTOAMSJKLRMJY-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.81
Rot. Bonds5

About 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane

8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 106733011) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
PubChem CID106733011
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(CCS(=O)(=O)C(C)C)C2(CCCC2)CN1
InChIInChI=1S/C15H30N2O2S/c1-4-14-11-17(9-10-20(18,19)13(2)3)15(12-16-14)7-5-6-8-15/h13-14,16H,4-12H2,1-3H3
InChIKeyITTOAMSJKLRMJY-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 106732813
3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106732966
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64844749
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964
3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733303
8-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane (CID 106733011) is 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane is CCC1CN(CCS(=O)(=O)C(C)C)C2(CCCC2)CN1.
What is the InChIKey of 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ITTOAMSJKLRMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-14-11-17(9-10-20(18,19)13(2)3)15(12-16-14)7-5-6-8-15/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane?
8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 302.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 106733011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).