9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane

C13H26N2O2S — CID 79550121

IUPAC9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(CN1CCNC2(CCCC2)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O2S/c1-12(2,18(3,16)17)10-15-9-8-14-13(11-15)6-4-5-7-13/h14H,4-11H2,1-3H3
InChIKeyBRRBLXSBVAOTRG-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.03
Rot. Bonds3

About 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane

9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 79550121) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
PubChem CID79550121
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(CN1CCNC2(CCCC2)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O2S/c1-12(2,18(3,16)17)10-15-9-8-14-13(11-15)6-4-5-7-13/h14H,4-11H2,1-3H3
InChIKeyBRRBLXSBVAOTRG-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-2-methylsulfonylpropyl)-1,4-diazaspiro[5.5]undecane
CID 79550124
3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550304
3,3-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)-1,4-diazepane
CID 79550666
3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550753
9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097156
4-[(1-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64954612
3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550120
4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64833666
9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
CID 107901364
4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79351240
4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64834277
9-(2-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64833062

Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane (CID 79550121) is 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane is CC(C)(CN1CCNC2(CCCC2)C1)S(C)(=O)=O.
What is the InChIKey of 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is BRRBLXSBVAOTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(2,18(3,16)17)10-15-9-8-14-13(11-15)6-4-5-7-13/h14H,4-11H2,1-3H3.
What are the key properties of 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane?
9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 274.43 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 79550121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).