3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide

C11H20N4O2S — CID 113488577

IUPAC3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(CC)CCC2)c(N)n1
InChIInChI=1S/C11H20N4O2S/c1-3-11(6-5-7-11)14-18(16,17)9-8-15(4-2)13-10(9)12/h8,14H,3-7H2,1-2H3,(H2,12,13)
InChIKeyOWDSEACWXMLZMI-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.10
Rot. Bonds5

About 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide (PubChem CID 113488577) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide
PubChem CID113488577
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(CC)CCC2)c(N)n1
InChIInChI=1S/C11H20N4O2S/c1-3-11(6-5-7-11)14-18(16,17)9-8-15(4-2)13-10(9)12/h8,14H,3-7H2,1-2H3,(H2,12,13)
InChIKeyOWDSEACWXMLZMI-UHFFFAOYSA-N
XLogP1.10
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide (CID 113488577) is 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2(CC)CCC2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide?
The InChIKey is OWDSEACWXMLZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-11(6-5-7-11)14-18(16,17)9-8-15(4-2)13-10(9)12/h8,14H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 113488577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).