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

C14H28N2O2S — CID 79550124

IUPAC4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)(CN1CCNC2(CCCCC2)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-13(2,19(3,17)18)11-16-10-9-15-14(12-16)7-5-4-6-8-14/h15H,4-12H2,1-3H3
InChIKeyAEBLWAPWSMQGAL-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.42
Rot. Bonds3

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

4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 79550124) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID79550124
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)(CN1CCNC2(CCCCC2)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-13(2,19(3,17)18)11-16-10-9-15-14(12-16)7-5-4-6-8-14/h15H,4-12H2,1-3H3
InChIKeyAEBLWAPWSMQGAL-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane (CID 79550124) is 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane is CC(C)(CN1CCNC2(CCCCC2)C1)S(C)(=O)=O.
What is the InChIKey of 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is AEBLWAPWSMQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-13(2,19(3,17)18)11-16-10-9-15-14(12-16)7-5-4-6-8-14/h15H,4-12H2,1-3H3.
What are the key properties of 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane?
4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 288.46 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 79550124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).