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

C10H19N5O3S — CID 76953266

IUPACN'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C10H19N5O3S/c1-6(10(11)14-16)5-12-19(17,18)9-7(2)13-15(4)8(9)3/h6,12,16H,5H2,1-4H3,(H2,11,14)
InChIKeyFTAZJBQIGYQAAC-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.30
Rot. Bonds5

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

N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide (PubChem CID 76953266) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide
PubChem CID76953266
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC NameN'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C10H19N5O3S/c1-6(10(11)14-16)5-12-19(17,18)9-7(2)13-15(4)8(9)3/h6,12,16H,5H2,1-4H3,(H2,11,14)
InChIKeyFTAZJBQIGYQAAC-UHFFFAOYSA-N
XLogP-0.30
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.30
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide (CID 76953266) is N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide?
The InChIKey is FTAZJBQIGYQAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-6(10(11)14-16)5-12-19(17,18)9-7(2)13-15(4)8(9)3/h6,12,16H,5H2,1-4H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide?
N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide has a molecular weight of 289.36 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide is sourced from PubChem (CID 76953266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).