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

C11H21N5O3S — CID 77038805

IUPACN'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C11H21N5O3S/c1-6(2)9(11(12)14-17)15-20(18,19)10-7(3)13-16(5)8(10)4/h6,9,15,17H,1-5H3,(H2,12,14)
InChIKeyZGJVMCFXGLVHDM-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.09
Rot. Bonds5

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

N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide (PubChem CID 77038805) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
PubChem CID77038805
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC NameN'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C11H21N5O3S/c1-6(2)9(11(12)14-17)15-20(18,19)10-7(3)13-16(5)8(10)4/h6,9,15,17H,1-5H3,(H2,12,14)
InChIKeyZGJVMCFXGLVHDM-UHFFFAOYSA-N
XLogP0.09
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.09
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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Related Compounds

methyl 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoate
CID 43408373
N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide
CID 76953266
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
CID 78820356
2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanethioamide
CID 55030672
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
3,3-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43468132
2-ethyl-N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 76933181
N'-hydroxy-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 76987710
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
CID 77038656
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
2-methyl-3-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119237110

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide (CID 77038805) is N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(C(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
The InChIKey is ZGJVMCFXGLVHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-6(2)9(11(12)14-17)15-20(18,19)10-7(3)13-16(5)8(10)4/h6,9,15,17H,1-5H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide?
N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide has a molecular weight of 303.39 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanimidamide is sourced from PubChem (CID 77038805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).