2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane

C15H25N3O4S — CID 91915843

IUPAC2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2cn(C)c(C)n2)CC12CCOCC2
InChIInChI=1S/C15H25N3O4S/c1-12-16-14(9-17(12)2)23(19,20)18-8-13(10-21-3)15(11-18)4-6-22-7-5-15/h9,13H,4-8,10-11H2,1-3H3
InChIKeySVOHIKWRMDJHMF-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.79
Rot. Bonds4

About 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane

2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 91915843) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
PubChem CID91915843
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2cn(C)c(C)n2)CC12CCOCC2
InChIInChI=1S/C15H25N3O4S/c1-12-16-14(9-17(12)2)23(19,20)18-8-13(10-21-3)15(11-18)4-6-22-7-5-15/h9,13H,4-8,10-11H2,1-3H3
InChIKeySVOHIKWRMDJHMF-UHFFFAOYSA-N
XLogP0.79
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-imidazol-4-yl [4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl] sulfone
CID 91922030
1-{4-(methoxymethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,8-diazaspiro[4.5]dec-2-yl}-1-ethanone
CID 91922164
N,1-Dimethyl-N-[(4-methyltetrahydro-2H-pyran-4-YL)methyl]-1H-imidazole-4-sulfonamide
CID 71686948
N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
CID 71686954
1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine
CID 87053409
1-methyl-N-propyl-N-(tetrahydro-3-furanylmethyl)-1H-imidazole-4-sulfonamide
CID 91905714
8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91922105
2-(1,2-Dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 128775403
(5R)-2-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 129347144
(5S)-2-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 129347145
8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56889940
1,2-dimethyl-N-[(oxan-4-yl)methyl]-1H-imidazole-4-sulfonamide
CID 91914802

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane (CID 91915843) is 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane is COCC1CN(S(=O)(=O)c2cn(C)c(C)n2)CC12CCOCC2.
What is the InChIKey of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is SVOHIKWRMDJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-12-16-14(9-17(12)2)23(19,20)18-8-13(10-21-3)15(11-18)4-6-22-7-5-15/h9,13H,4-8,10-11H2,1-3H3.
What are the key properties of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane?
2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 343.45 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 91915843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).