9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C15H30N2O2S — CID 64940325

IUPAC9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1C(C)CS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-12(2)14-9-16-15(7-5-6-8-15)11-17(14)13(3)10-20(4,18)19/h12-14,16H,5-11H2,1-4H3
InChIKeyPGAIORUWOLBMQH-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds4

About 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64940325) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64940325
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1C(C)CS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-12(2)14-9-16-15(7-5-6-8-15)11-17(14)13(3)10-20(4,18)19/h12-14,16H,5-11H2,1-4H3
InChIKeyPGAIORUWOLBMQH-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64939492
9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947217
9-(1-ethoxypropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947120
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64940326
8-propan-2-yl-9-(2,2,3,3-tetramethylcyclopropyl)-6,9-diazaspiro[4.5]decane
CID 79350195
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106329736
4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934612
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
3-methyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64877989

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64940325) is 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CNC2(CCCC2)CN1C(C)CS(C)(=O)=O.
What is the InChIKey of 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is PGAIORUWOLBMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-12(2)14-9-16-15(7-5-6-8-15)11-17(14)13(3)10-20(4,18)19/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 302.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64940325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).