N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide

C6H15N3O3S — CID 76953095

IUPACN'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide
SMILESCC(C)S(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-5(2)13(11,12)8-4-3-6(7)9-10/h5,8,10H,3-4H2,1-2H3,(H2,7,9)
InChIKeyOKZFDMBNRSEZFR-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.55
Rot. Bonds5

About N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide

N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide (PubChem CID 76953095) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide
PubChem CID76953095
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC NameN'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide
SMILESCC(C)S(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-5(2)13(11,12)8-4-3-6(7)9-10/h5,8,10H,3-4H2,1-2H3,(H2,7,9)
InChIKeyOKZFDMBNRSEZFR-UHFFFAOYSA-N
XLogP-0.55
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.55
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'}

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Related Compounds

2-amino-2-(hydroxyimino)-N-propylethane-1-sulfonamide
CID 129708841
N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
CID 83059730
N'-hydroxy-3-(methanesulfonamido)propanimidamide
CID 22733172
N'-hydroxy-3-(methanesulfonamido)propanimidamide
CID 73994016
(1Z)-N'-hydroxy-3-[(methylsulfonyl)amino]propanimidamide
CID 86586149
N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide
CID 63243149
3-(Ethylsulfonylamino)-2-methylpropanimidamide
CID 64405926
4-(Ethylsulfonylamino)butanimidamide
CID 64406547
3-(Ethylsulfonylamino)propanimidamide
CID 64406905
2-Methyl-3-(propylsulfonylamino)propanimidamide
CID 64406969
3-(Propylsulfonylamino)propanimidamide
CID 64407110
3-(Butylsulfonylamino)propanimidamide
CID 64407111

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide (CID 76953095) is N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide is CC(C)S(=O)(=O)NCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide?
The InChIKey is OKZFDMBNRSEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-5(2)13(11,12)8-4-3-6(7)9-10/h5,8,10H,3-4H2,1-2H3,(H2,7,9).
What are the key properties of N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide?
N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide has a molecular weight of 209.27 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(propan-2-ylsulfonylamino)propanimidamide is sourced from PubChem (CID 76953095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).