10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane

C14H28N2O2S — CID 106733398

IUPAC10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCCS(=O)(=O)CCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C14H28N2O2S/c1-3-19(17,18)11-10-16-12-14(7-4-5-8-14)15-9-6-13(16)2/h13,15H,3-12H2,1-2H3
InChIKeyNYCWGMSAMLTHEZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.42
Rot. Bonds4

About 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane

10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane (PubChem CID 106733398) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
PubChem CID106733398
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCCS(=O)(=O)CCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C14H28N2O2S/c1-3-19(17,18)11-10-16-12-14(7-4-5-8-14)15-9-6-13(16)2/h13,15H,3-12H2,1-2H3
InChIKeyNYCWGMSAMLTHEZ-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane
CID 106733400
10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane
CID 64869383
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 81113015
10-(3-ethoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 65178467
10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 113474602
3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733186
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 116627590
9-methyl-10-[2-(oxolan-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 65170391
9-methyl-10-[2-(2-methylpropoxy)ethyl]-6,10-diazaspiro[4.6]undecane
CID 106458879
10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 64871366

Frequently Asked Questions

What is the IUPAC name of 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane (CID 106733398) is 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane is CCS(=O)(=O)CCN1CC2(CCCC2)NCCC1C.
What is the InChIKey of 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is NYCWGMSAMLTHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-19(17,18)11-10-16-12-14(7-4-5-8-14)15-9-6-13(16)2/h13,15H,3-12H2,1-2H3.
What are the key properties of 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane has a molecular weight of 288.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 106733398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).