4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole

C11H19N3O4S2 — CID 121164702

IUPAC4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C11H19N3O4S2/c1-5-19(15,16)10-6-14(7-10)20(17,18)11-8(2)12-13(4)9(11)3/h10H,5-7H2,1-4H3
InChIKeyWYZKVHQXCIRCAH-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.16
Rot. Bonds4

About 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole

4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole (PubChem CID 121164702) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole
PubChem CID121164702
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C11H19N3O4S2/c1-5-19(15,16)10-6-14(7-10)20(17,18)11-8(2)12-13(4)9(11)3/h10H,5-7H2,1-4H3
InChIKeyWYZKVHQXCIRCAH-UHFFFAOYSA-N
XLogP-0.16
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
8-(1,3,5-Trimethylpyrazol-4-yl)sulfonyl-1,4-dithia-8-azaspiro[4.5]decane
CID 155542317
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806381
1-(1,3,5-Trimethylpyrazol-4-yl)sulfonylpiperidine
CID 7452641
N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide
CID 71997673
1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 71997772
1-(3-Fluoropropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 81339867
1-(2-Fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 81340837
1-((3,3,3-trifluoropropyl)sulfonyl)-4-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepane
CID 91816913
1-(2-aminoethyl)-3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide
CID 106433846
3,5-Dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonyl chloride
CID 116617186

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole (CID 121164702) is 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole is CCS(=O)(=O)C1CN(S(=O)(=O)c2c(C)nn(C)c2C)C1.
What is the InChIKey of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole?
The InChIKey is WYZKVHQXCIRCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-5-19(15,16)10-6-14(7-10)20(17,18)11-8(2)12-13(4)9(11)3/h10H,5-7H2,1-4H3.
What are the key properties of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole?
4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole has a molecular weight of 321.42 g/mol, XLogP of -0.16, 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-1,3,5-trimethylpyrazole is sourced from PubChem (CID 121164702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).