3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide

C11H20N4O3S — CID 114628479

IUPAC3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CC(O)C2(C)C)c(N)n1
InChIInChI=1S/C11H20N4O3S/c1-4-15-6-7(10(12)13-15)19(17,18)14-8-5-9(16)11(8,2)3/h6,8-9,14,16H,4-5H2,1-3H3,(H2,12,13)
InChIKeyJRTMRBYHKJGJTQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.08
Rot. Bonds4

About 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide (PubChem CID 114628479) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide
PubChem CID114628479
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CC(O)C2(C)C)c(N)n1
InChIInChI=1S/C11H20N4O3S/c1-4-15-6-7(10(12)13-15)19(17,18)14-8-5-9(16)11(8,2)3/h6,8-9,14,16H,4-5H2,1-3H3,(H2,12,13)
InChIKeyJRTMRBYHKJGJTQ-UHFFFAOYSA-N
XLogP-0.08
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide (CID 114628479) is 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CC(O)C2(C)C)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide?
The InChIKey is JRTMRBYHKJGJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-15-6-7(10(12)13-15)19(17,18)14-8-5-9(16)11(8,2)3/h6,8-9,14,16H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114628479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).