N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide

C12H20N4O3S — CID 77036641

IUPACN'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
SMILESNC(CCCCNS(=O)(=O)CCc1ccncc1)=NO
InChIInChI=1S/C12H20N4O3S/c13-12(16-17)3-1-2-7-15-20(18,19)10-6-11-4-8-14-9-5-11/h4-5,8-9,15,17H,1-3,6-7,10H2,(H2,13,16)
InChIKeyWDJIGWFCFCSBTJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.46
Rot. Bonds9

About N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide

N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide (PubChem CID 77036641) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
PubChem CID77036641
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
SMILESNC(CCCCNS(=O)(=O)CCc1ccncc1)=NO
InChIInChI=1S/C12H20N4O3S/c13-12(16-17)3-1-2-7-15-20(18,19)10-6-11-4-8-14-9-5-11/h4-5,8-9,15,17H,1-3,6-7,10H2,(H2,13,16)
InChIKeyWDJIGWFCFCSBTJ-UHFFFAOYSA-N
XLogP0.46
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.46
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103858835
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide
CID 80687011
3-[cyclopropyl(2-pyridin-4-ylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 76911647
N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
CID 113414890
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
CID 113318779

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide (CID 77036641) is N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide is NC(CCCCNS(=O)(=O)CCc1ccncc1)=NO.
What is the InChIKey of N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide?
The InChIKey is WDJIGWFCFCSBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c13-12(16-17)3-1-2-7-15-20(18,19)10-6-11-4-8-14-9-5-11/h4-5,8-9,15,17H,1-3,6-7,10H2,(H2,13,16).
What are the key properties of N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide?
N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide has a molecular weight of 300.38 g/mol, XLogP of 0.46, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide is sourced from PubChem (CID 77036641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).