2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide

C12H23N5O3S — CID 76933181

IUPAC2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
SMILESCCC(CC)(NS(=O)(=O)c1c(C)nn(C)c1C)C(N)=NO
InChIInChI=1S/C12H23N5O3S/c1-6-12(7-2,11(13)15-18)16-21(19,20)10-8(3)14-17(5)9(10)4/h16,18H,6-7H2,1-5H3,(H2,13,15)
InChIKeyLSLMTLZYQRZJMM-UHFFFAOYSA-N
MW317.42 g/mol
LogP0.62
Rot. Bonds6

About 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide

2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide (PubChem CID 76933181) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
PubChem CID76933181
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
SMILESCCC(CC)(NS(=O)(=O)c1c(C)nn(C)c1C)C(N)=NO
InChIInChI=1S/C12H23N5O3S/c1-6-12(7-2,11(13)15-18)16-21(19,20)10-8(3)14-17(5)9(10)4/h16,18H,6-7H2,1-5H3,(H2,13,15)
InChIKeyLSLMTLZYQRZJMM-UHFFFAOYSA-N
XLogP0.62
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide (CID 76933181) is 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide is CCC(CC)(NS(=O)(=O)c1c(C)nn(C)c1C)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The InChIKey is LSLMTLZYQRZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-6-12(7-2,11(13)15-18)16-21(19,20)10-8(3)14-17(5)9(10)4/h16,18H,6-7H2,1-5H3,(H2,13,15).
What are the key properties of 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide has a molecular weight of 317.42 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide is sourced from PubChem (CID 76933181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).