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

C11H21N5O3S — CID 76987710

IUPACN'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C11H21N5O3S/c1-7(6-10(12)14-17)16(5)20(18,19)11-8(2)13-15(4)9(11)3/h7,17H,6H2,1-5H3,(H2,12,14)
InChIKeyWHVVFNZMNIGXTI-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.18
Rot. Bonds5

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

N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide (PubChem CID 76987710) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
PubChem CID76987710
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC NameN'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C11H21N5O3S/c1-7(6-10(12)14-17)16(5)20(18,19)11-8(2)13-15(4)9(11)3/h7,17H,6H2,1-5H3,(H2,12,14)
InChIKeyWHVVFNZMNIGXTI-UHFFFAOYSA-N
XLogP0.18
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
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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Related Compounds

3-[ethyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanethioamide
CID 62061410
N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide
CID 76953266
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 77038805
2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 76933181
N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
CID 102693863
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987880
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide
CID 104978448
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
CID 78820356
N-(3-amino-3-hydroxyiminopropyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 76911540
2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanethioamide
CID 55030672

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide (CID 76987710) is N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide is Cc1nn(C)c(C)c1S(=O)(=O)N(C)C(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The InChIKey is WHVVFNZMNIGXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-7(6-10(12)14-17)16(5)20(18,19)11-8(2)13-15(4)9(11)3/h7,17H,6H2,1-5H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide has a molecular weight of 303.39 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide is sourced from PubChem (CID 76987710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).