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

C13H26N2O3S — CID 91922028

IUPAC4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CC(COC)C2(CCNCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-3-8-19(16,17)15-9-12(10-18-2)13(11-15)4-6-14-7-5-13/h12,14H,3-11H2,1-2H3
InChIKeyGEYRLJPDLVWUCJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.67
Rot. Bonds5

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

4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922028) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID91922028
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CC(COC)C2(CCNCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-3-8-19(16,17)15-9-12(10-18-2)13(11-15)4-6-14-7-5-13/h12,14H,3-11H2,1-2H3
InChIKeyGEYRLJPDLVWUCJ-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
CID 87053400
N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
CID 87053407
N-{[2-(ethylsulfonyl)-8-oxa-2-azaspiro[4.5]dec-4-yl]methyl}-N,N-dimethylamine
CID 91653918
4-(Methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl propyl sulfone
CID 91922097
2-(Ethylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 110197861
1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 156624820
1-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 156624842
N-(oxolan-3-ylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 55119441
N-methyl-N-(oxan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55225492
N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide
CID 55225493
2-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)ethanesulfonamide
CID 55225682
N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide
CID 62822942

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane (CID 91922028) is 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane is CCCS(=O)(=O)N1CC(COC)C2(CCNCC2)C1.
What is the InChIKey of 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is GEYRLJPDLVWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-8-19(16,17)15-9-12(10-18-2)13(11-15)4-6-14-7-5-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 290.43 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-propylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).