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

C9H15N3O4S2 — CID 91625518

IUPAC4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C9H15N3O4S2/c1-3-17(13,14)9-6-12(7-9)18(15,16)8-4-10-11(2)5-8/h4-5,9H,3,6-7H2,1-2H3
InChIKeyNUMGSUNQNFHEOY-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.77
Rot. Bonds4

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

4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole (PubChem CID 91625518) 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-methylpyrazole.

Molecular Properties

Compound Name4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole
PubChem CID91625518
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC Name4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C9H15N3O4S2/c1-3-17(13,14)9-6-12(7-9)18(15,16)8-4-10-11(2)5-8/h4-5,9H,3,6-7H2,1-2H3
InChIKeyNUMGSUNQNFHEOY-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

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CID 57587962
1-ethyl-N,N-dimethyl-1H-pyrazole-4-sulfonamide
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4-(1-Propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine
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2-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]ethan-1-amine hydrochloride
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4-(1-Ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 71855169
4-(1-Ethylpyrazol-4-yl)sulfonylthiomorpholine
CID 72024344
N,N-dimethyl-1-(3-propan-2-ylsulfonylpropyl)pyrazole-4-sulfonamide
CID 132381044
1-(3-fluoropropyl)-N,N-dimethylpyrazole-4-sulfonamide
CID 132383272
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide
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CID 116628275

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole?
The IUPAC name of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole (CID 91625518) is 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole.
What is the SMILES notation for 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole?
The canonical SMILES for 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole is CCS(=O)(=O)C1CN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole?
The InChIKey is NUMGSUNQNFHEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-3-17(13,14)9-6-12(7-9)18(15,16)8-4-10-11(2)5-8/h4-5,9H,3,6-7H2,1-2H3.
What are the key properties of 4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole?
4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylpyrazole 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-methylpyrazole is sourced from PubChem (CID 91625518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).