2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide

C11H20N4O3S — CID 139416442

IUPAC2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide
SMILESCC1(C)CC(OCCn2nccc2S(N)(=O)=O)CN1
InChIInChI=1S/C11H20N4O3S/c1-11(2)7-9(8-13-11)18-6-5-15-10(3-4-14-15)19(12,16)17/h3-4,9,13H,5-8H2,1-2H3,(H2,12,16,17)
InChIKeyZXZFAJUWOPYJLG-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.31
Rot. Bonds5

About 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide

2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide (PubChem CID 139416442) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide
PubChem CID139416442
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide
SMILESCC1(C)CC(OCCn2nccc2S(N)(=O)=O)CN1
InChIInChI=1S/C11H20N4O3S/c1-11(2)7-9(8-13-11)18-6-5-15-10(3-4-14-15)19(12,16)17/h3-4,9,13H,5-8H2,1-2H3,(H2,12,16,17)
InChIKeyZXZFAJUWOPYJLG-UHFFFAOYSA-N
XLogP-0.31
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide (CID 139416442) is 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide is CC1(C)CC(OCCn2nccc2S(N)(=O)=O)CN1.
What is the InChIKey of 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide?
The InChIKey is ZXZFAJUWOPYJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-11(2)7-9(8-13-11)18-6-5-15-10(3-4-14-15)19(12,16)17/h3-4,9,13H,5-8H2,1-2H3,(H2,12,16,17).
What are the key properties of 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide?
2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,5-dimethylpyrrolidin-3-yl)oxyethyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 139416442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).