N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide

C9H17N5O3S — CID 104873854

IUPACN'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
SMILESCn1cnc(S(=O)(=O)NCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C9H17N5O3S/c1-9(2,8(10)13-15)5-12-18(16,17)7-4-14(3)6-11-7/h4,6,12,15H,5H2,1-3H3,(H2,10,13)
InChIKeyVRDDCIGJUONNHC-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.53
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide

N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide (PubChem CID 104873854) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
PubChem CID104873854
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC NameN'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
SMILESCn1cnc(S(=O)(=O)NCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C9H17N5O3S/c1-9(2,8(10)13-15)5-12-18(16,17)7-4-14(3)6-11-7/h4,6,12,15H,5H2,1-3H3,(H2,10,13)
InChIKeyVRDDCIGJUONNHC-UHFFFAOYSA-N
XLogP-0.53
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.53
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

N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838100
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
CID 97355129
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
CID 97355076
1-methyl-N-(2-methylbutan-2-yl)imidazole-4-sulfonamide
CID 46345219
N-(1-chloro-2-methylpropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 65033444
N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
CID 102693887
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
CID 97355094
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
4,4-dimethyl-2-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 107474612
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763
N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
CID 15100236

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide (CID 104873854) is N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide is Cn1cnc(S(=O)(=O)NCC(C)(C)C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide?
The InChIKey is VRDDCIGJUONNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-9(2,8(10)13-15)5-12-18(16,17)7-4-14(3)6-11-7/h4,6,12,15H,5H2,1-3H3,(H2,10,13).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide?
N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide has a molecular weight of 275.33 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide is sourced from PubChem (CID 104873854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).