1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

C13H22N2O2S — CID 113474380

IUPAC1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCCSCCN1C(=O)NC(=O)C12CCCCCC2
InChIInChI=1S/C13H22N2O2S/c1-2-18-10-9-15-12(17)14-11(16)13(15)7-5-3-4-6-8-13/h2-10H2,1H3,(H,14,16,17)
InChIKeyVNEOMXPCLNGIQD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 113474380) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID113474380
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCCSCCN1C(=O)NC(=O)C12CCCCCC2
InChIInChI=1S/C13H22N2O2S/c1-2-18-10-9-15-12(17)14-11(16)13(15)7-5-3-4-6-8-13/h2-10H2,1H3,(H,14,16,17)
InChIKeyVNEOMXPCLNGIQD-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione 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

1-(2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107914237
1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 83168970
1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130008709
1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 113437173
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 104567461
1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 65165016
3,3-diethyl-1-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887515
1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
CID 53388991
1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303
1,3-dipropyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872406
6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627705
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 113474380) is 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is CCSCCN1C(=O)NC(=O)C12CCCCCC2.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is VNEOMXPCLNGIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-18-10-9-15-12(17)14-11(16)13(15)7-5-3-4-6-8-13/h2-10H2,1H3,(H,14,16,17).
What are the key properties of 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 270.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 113474380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).