5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide

C9H15N3O4S — CID 142587945

IUPAC5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide
SMILESCCOC1(c2cc(S(N)(=O)=O)nn2C)COC1
InChIInChI=1S/C9H15N3O4S/c1-3-16-9(5-15-6-9)7-4-8(11-12(7)2)17(10,13)14/h4H,3,5-6H2,1-2H3,(H2,10,13,14)
InChIKeyHQIXVYODUWGUOY-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.67
Rot. Bonds4

About 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide

5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide (PubChem CID 142587945) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide
PubChem CID142587945
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide
SMILESCCOC1(c2cc(S(N)(=O)=O)nn2C)COC1
InChIInChI=1S/C9H15N3O4S/c1-3-16-9(5-15-6-9)7-4-8(11-12(7)2)17(10,13)14/h4H,3,5-6H2,1-2H3,(H2,10,13,14)
InChIKeyHQIXVYODUWGUOY-UHFFFAOYSA-N
XLogP-0.67
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide?
The IUPAC name of 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide (CID 142587945) is 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide is CCOC1(c2cc(S(N)(=O)=O)nn2C)COC1.
What is the InChIKey of 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide?
The InChIKey is HQIXVYODUWGUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-16-9(5-15-6-9)7-4-8(11-12(7)2)17(10,13)14/h4H,3,5-6H2,1-2H3,(H2,10,13,14).
What are the key properties of 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide?
5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide has a molecular weight of 261.30 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyoxetan-3-yl)-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 142587945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).