4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H24N2O4S — CID 106733699

IUPAC4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCCS(=O)(=O)CCN1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H24N2O4S/c1-2-9-21(19,20)10-8-16-11-12(17)15-14(13(16)18)6-4-3-5-7-14/h2-11H2,1H3,(H,15,17)
InChIKeyIKRJWGSQFLHERA-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.47
Rot. Bonds5

About 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 106733699) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID106733699
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCCS(=O)(=O)CCN1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H24N2O4S/c1-2-9-21(19,20)10-8-16-11-12(17)15-14(13(16)18)6-4-3-5-7-14/h2-11H2,1H3,(H,15,17)
InChIKeyIKRJWGSQFLHERA-UHFFFAOYSA-N
XLogP0.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
9-(2-butoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878863
4-(3-ethoxypropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958546
4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970002
4-[(4-methylcyclohexyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970304
4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64967479
9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64959195
11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880199
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
9-prop-2-ynyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963783

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 106733699) is 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CCCS(=O)(=O)CCN1CC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is IKRJWGSQFLHERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-2-9-21(19,20)10-8-16-11-12(17)15-14(13(16)18)6-4-3-5-7-14/h2-11H2,1H3,(H,15,17).
What are the key properties of 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 316.42 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 106733699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).