N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide

C6H16N4O3S — CID 77029418

IUPACN'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
SMILESCC(NCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(6(7)10-11)8-3-4-9-14(2,12)13/h5,8-9,11H,3-4H2,1-2H3,(H2,7,10)
InChIKeyKQURCDSUAFBMHD-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.74
Rot. Bonds6

About N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide

N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide (PubChem CID 77029418) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
PubChem CID77029418
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC NameN'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
SMILESCC(NCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(6(7)10-11)8-3-4-9-14(2,12)13/h5,8-9,11H,3-4H2,1-2H3,(H2,7,10)
InChIKeyKQURCDSUAFBMHD-UHFFFAOYSA-N
XLogP-1.74
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide 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-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide
CID 114266318
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide
CID 77029950
2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide
CID 106341703
N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide
CID 28731973
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide (CID 77029418) is N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide is CC(NCCNS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide?
The InChIKey is KQURCDSUAFBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-5(6(7)10-11)8-3-4-9-14(2,12)13/h5,8-9,11H,3-4H2,1-2H3,(H2,7,10).
What are the key properties of N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide?
N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide is sourced from PubChem (CID 77029418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).