3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H24N2O4S — CID 64875106

IUPAC3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C14H24N2O4S/c1-11-12(17)16(9-6-10-21(2,19)20)14(13(18)15-11)7-4-3-5-8-14/h11H,3-10H2,1-2H3,(H,15,18)
InChIKeyPMRPGVYGKDGUJL-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.47
Rot. Bonds4

About 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64875106) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64875106
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C14H24N2O4S/c1-11-12(17)16(9-6-10-21(2,19)20)14(13(18)15-11)7-4-3-5-8-14/h11H,3-10H2,1-2H3,(H,15,18)
InChIKeyPMRPGVYGKDGUJL-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64875106) is 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1NC(=O)C2(CCCCC2)N(CCCS(C)(=O)=O)C1=O.
What is the InChIKey of 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is PMRPGVYGKDGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11-12(17)16(9-6-10-21(2,19)20)14(13(18)15-11)7-4-3-5-8-14/h11H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 316.42 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64875106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).