5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C16H27N3O4S — CID 118745003

IUPAC5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1
InChIInChI=1S/C16H27N3O4S/c1-3-24(20,21)19-8-14(16-15(9-19)17-12-18(16)2)11-23-10-13-4-6-22-7-5-13/h12-14H,3-11H2,1-2H3
InChIKeyLMMIQLUVEPPHSF-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.11
Rot. Bonds6

About 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118745003) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118745003
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1
InChIInChI=1S/C16H27N3O4S/c1-3-24(20,21)19-8-14(16-15(9-19)17-12-18(16)2)11-23-10-13-4-6-22-7-5-13/h12-14H,3-11H2,1-2H3
InChIKeyLMMIQLUVEPPHSF-UHFFFAOYSA-N
XLogP1.11
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

ethyl 5-cyclopropylsulfonyl-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739093
ethyl 1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739103
ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739104
1-(cyclopropylmethyl)-5-ethylsulfonyl-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739264
1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739265
1-(cyclopropylmethyl)-5-cyclopropylsulfonyl-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739269
1-[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-methylsulfonylethanone
CID 118739274
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739685
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739692
2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 118740956
1-(cyclopropylmethyl)-7-(methoxymethyl)-N,N-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-sulfonamide
CID 118743204
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118743206

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118745003) is 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCS(=O)(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1.
What is the InChIKey of 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is LMMIQLUVEPPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-3-24(20,21)19-8-14(16-15(9-19)17-12-18(16)2)11-23-10-13-4-6-22-7-5-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 357.48 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118745003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).