9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione

C14H24N2O4S — CID 64885124

IUPAC9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)C1C(=O)NC2(CCCC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-10(2)11-12(17)15-14(6-4-5-7-14)13(18)16(11)8-9-21(3,19)20/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyKHXAFHDULNTYEI-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.33
Rot. Bonds4

About 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione

9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64885124) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64885124
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)C1C(=O)NC2(CCCC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-10(2)11-12(17)15-14(6-4-5-7-14)13(18)16(11)8-9-21(3,19)20/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyKHXAFHDULNTYEI-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

9-(2-methylsulfanylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64971532
4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107902269
6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256700
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733527
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106329203
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 114420523
3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887630
9-(oxan-4-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960934

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64885124) is 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione is CC(C)C1C(=O)NC2(CCCC2)C(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is KHXAFHDULNTYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10(2)11-12(17)15-14(6-4-5-7-14)13(18)16(11)8-9-21(3,19)20/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 316.42 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64885124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).