N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide

C6H15N3O3S — CID 76910929

IUPACN'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
SMILESCC(CN(C)S(C)(=O)=O)C(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-5(6(7)8-10)4-9(2)13(3,11)12/h5,10H,4H2,1-3H3,(H2,7,8)
InChIKeyVOVCJIKFGASCDA-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.74
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide (PubChem CID 76910929) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
PubChem CID76910929
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
SMILESCC(CN(C)S(C)(=O)=O)C(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-5(6(7)8-10)4-9(2)13(3,11)12/h5,10H,4H2,1-3H3,(H2,7,8)
InChIKeyVOVCJIKFGASCDA-UHFFFAOYSA-N
XLogP-0.74
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910586
3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910766
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910935
3-[difluoromethylsulfonyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917180
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
CID 112495178
N'-hydroxy-3-(methanesulfonamido)propanimidamide
CID 22733172
N'-hydroxy-3-(methanesulfonamido)propanimidamide
CID 73994016
(1Z)-N'-hydroxy-3-[(methylsulfonyl)amino]propanimidamide
CID 86586149
3-[butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988173
3-[tert-butylsulfonyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 55233615
N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
CID 55261692
3-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64332410

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide (CID 76910929) is N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide is CC(CN(C)S(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide?
The InChIKey is VOVCJIKFGASCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-5(6(7)8-10)4-9(2)13(3,11)12/h5,10H,4H2,1-3H3,(H2,7,8).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide has a molecular weight of 209.27 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 76910929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).