4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane

C14H28N2O3S — CID 91922097

IUPAC4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CCC2(CC1)CN(C)CC2COC
InChIInChI=1S/C14H28N2O3S/c1-4-9-20(17,18)16-7-5-14(6-8-16)12-15(2)10-13(14)11-19-3/h13H,4-12H2,1-3H3
InChIKeyXAUCNBJCLYZOQA-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.02
Rot. Bonds5

About 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane

4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922097) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID91922097
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CCC2(CC1)CN(C)CC2COC
InChIInChI=1S/C14H28N2O3S/c1-4-9-20(17,18)16-7-5-14(6-8-16)12-15(2)10-13(14)11-19-3/h13H,4-12H2,1-3H3
InChIKeyXAUCNBJCLYZOQA-UHFFFAOYSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane (CID 91922097) is 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane is CCCS(=O)(=O)N1CCC2(CC1)CN(C)CC2COC.
What is the InChIKey of 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is XAUCNBJCLYZOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-4-9-20(17,18)16-7-5-14(6-8-16)12-15(2)10-13(14)11-19-3/h13H,4-12H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 304.46 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methyl-8-propylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).