4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole

C9H15N3O4S2 — CID 121164701

IUPAC4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C9H15N3O4S2/c1-3-17(13,14)8-4-12(5-8)18(15,16)9-6-11(2)7-10-9/h6-8H,3-5H2,1-2H3
InChIKeyPHRKOGDHEMIVNF-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.77
Rot. Bonds4

About 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole

4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole (PubChem CID 121164701) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole.

Molecular Properties

Compound Name4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole
PubChem CID121164701
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC Name4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C9H15N3O4S2/c1-3-17(13,14)8-4-12(5-8)18(15,16)9-6-11(2)7-10-9/h6-8H,3-5H2,1-2H3
InChIKeyPHRKOGDHEMIVNF-UHFFFAOYSA-N
XLogP-0.77
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
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methyl 1-(1-methylimidazol-4-yl)sulfonylazetidine-3-carboxylate
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1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
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1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
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N-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-(oxan-4-yl)azetidin-3-amine
CID 91909806
(2R,3aS,6aS)-2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369174
(4S)-4-ethoxy-2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 124811465
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 59529964
4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 91907796
2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 81211759

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole?
The IUPAC name of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole (CID 121164701) is 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole.
What is the SMILES notation for 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole?
The canonical SMILES for 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole is CCS(=O)(=O)C1CN(S(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole?
The InChIKey is PHRKOGDHEMIVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-3-17(13,14)8-4-12(5-8)18(15,16)9-6-11(2)7-10-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole?
4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole has a molecular weight of 293.37 g/mol, XLogP of -0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole is sourced from PubChem (CID 121164701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).