N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide

C11H18N4O3S — CID 54996530

IUPACN'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide
SMILESCC(C)N(CC/C(N)=N/O)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H18N4O3S/c1-9(2)15(7-5-11(12)14-16)19(17,18)10-4-3-6-13-8-10/h3-4,6,8-9,16H,5,7H2,1-2H3,(H2,12,14)
InChIKeyWLPFOYCHPBHVMJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.62
Rot. Bonds6

About N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide

N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide (PubChem CID 54996530) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide
PubChem CID54996530
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide
SMILESCC(C)N(CC/C(N)=N/O)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H18N4O3S/c1-9(2)15(7-5-11(12)14-16)19(17,18)10-4-3-6-13-8-10/h3-4,6,8-9,16H,5,7H2,1-2H3,(H2,12,14)
InChIKeyWLPFOYCHPBHVMJ-UHFFFAOYSA-N
XLogP0.62
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-hydroxy-3-[(4-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 76911536
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443
N'-hydroxy-3-[(2-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 77077386
3-[(2,4-dimethylphenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911591
3-[(5-bromothiophen-2-yl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 54996481
3-[(2,5-difluorophenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911538
3-[(5-fluoro-2-methylphenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911520
N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide
CID 76979395
2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 77038138
N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
CID 97099113
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide
CID 83150108
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 61135804

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide (CID 54996530) is N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide is CC(C)N(CC/C(N)=N/O)S(=O)(=O)c1cccnc1.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide?
The InChIKey is WLPFOYCHPBHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-9(2)15(7-5-11(12)14-16)19(17,18)10-4-3-6-13-8-10/h3-4,6,8-9,16H,5,7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide has a molecular weight of 286.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 54996530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).