1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide

C11H18N4O3S — CID 146126031

IUPAC1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC(C)C1CCN1C(=O)Cn1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C11H18N4O3S/c1-8(2)10-3-4-15(10)11(16)7-14-6-9(5-13-14)19(12,17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H2,12,17,18)
InChIKeyOTUYVEWJJNWYCA-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.21
Rot. Bonds4

About 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide

1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 146126031) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID146126031
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC(C)C1CCN1C(=O)Cn1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C11H18N4O3S/c1-8(2)10-3-4-15(10)11(16)7-14-6-9(5-13-14)19(12,17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H2,12,17,18)
InChIKeyOTUYVEWJJNWYCA-UHFFFAOYSA-N
XLogP-0.21
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide (CID 146126031) is 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide is CC(C)C1CCN1C(=O)Cn1cc(S(N)(=O)=O)cn1.
What is the InChIKey of 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is OTUYVEWJJNWYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8(2)10-3-4-15(10)11(16)7-14-6-9(5-13-14)19(12,17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H2,12,17,18).
What are the key properties of 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide?
1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 146126031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).