2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide

C7H18N4O3S — CID 77038497

IUPAC2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)N(C)C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-5(2)6(7(8)9-12)10-15(13,14)11(3)4/h5-6,10,12H,1-4H3,(H2,8,9)
InChIKeyLYHAEYUMESDZRT-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.85
Rot. Bonds5

About 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide

2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide (PubChem CID 77038497) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
PubChem CID77038497
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC Name2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)N(C)C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-5(2)6(7(8)9-12)10-15(13,14)11(3)4/h5-6,10,12H,1-4H3,(H2,8,9)
InChIKeyLYHAEYUMESDZRT-UHFFFAOYSA-N
XLogP-0.85
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978519
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
2-ethyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947254
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
N'-hydroxy-2-methyl-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 54991892
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718
2-(Dimethylsulfamoylamino)butanimidamide
CID 64406348
2-(Diethylsulfamoylamino)-3-methylbutanimidamide
CID 64425054
2-(Dimethylsulfamoylamino)-3-methylbutanimidamide
CID 64426019

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide (CID 77038497) is 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide is CC(C)C(NS(=O)(=O)N(C)C)C(N)=NO.
What is the InChIKey of 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is LYHAEYUMESDZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-5(2)6(7(8)9-12)10-15(13,14)11(3)4/h5-6,10,12H,1-4H3,(H2,8,9).
What are the key properties of 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 77038497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).