9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane

C14H28N2O2S — CID 3234668

IUPAC9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCC2(CC1)CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C14H28N2O2S/c1-13(2)12-15-8-4-14(5-9-15)6-10-16(11-7-14)19(3,17)18/h13H,4-12H2,1-3H3
InChIKeyBJGSXZKFMJXJLW-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.78
Rot. Bonds3

About 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane

9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane (PubChem CID 3234668) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
PubChem CID3234668
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCC2(CC1)CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C14H28N2O2S/c1-13(2)12-15-8-4-14(5-9-15)6-10-16(11-7-14)19(3,17)18/h13H,4-12H2,1-3H3
InChIKeyBJGSXZKFMJXJLW-UHFFFAOYSA-N
XLogP1.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane (CID 3234668) is 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane is CC(C)CN1CCC2(CC1)CCN(S(C)(=O)=O)CC2.
What is the InChIKey of 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is BJGSXZKFMJXJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-13(2)12-15-8-4-14(5-9-15)6-10-16(11-7-14)19(3,17)18/h13H,4-12H2,1-3H3.
What are the key properties of 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane?
9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 288.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3234668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).