N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide

C8H19N3O4S — CID 76994145

IUPACN'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
SMILESCOCCCS(=O)(=O)NC(C)CC(N)=NO
InChIInChI=1S/C8H19N3O4S/c1-7(6-8(9)10-12)11-16(13,14)5-3-4-15-2/h7,11-12H,3-6H2,1-2H3,(H2,9,10)
InChIKeyODBXETOMEZWADR-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.53
Rot. Bonds8

About N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide

N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide (PubChem CID 76994145) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
PubChem CID76994145
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC NameN'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
SMILESCOCCCS(=O)(=O)NC(C)CC(N)=NO
InChIInChI=1S/C8H19N3O4S/c1-7(6-8(9)10-12)11-16(13,14)5-3-4-15-2/h7,11-12H,3-6H2,1-2H3,(H2,9,10)
InChIKeyODBXETOMEZWADR-UHFFFAOYSA-N
XLogP-0.53
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.53
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'-hydroxy-2-(3-methoxypropylsulfonylamino)-3-methylbutanimidamide
CID 77038730
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide
CID 77038259
3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide
CID 115662705
N'-hydroxy-3-(propylsulfamoylamino)butanimidamide
CID 104978411
3-(3-methoxypropylsulfonylamino)pentanethioamide
CID 63290053
3-amino-N-(1-methoxypropan-2-yl)propane-1-sulfonamide
CID 60910222
N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide
CID 77055988
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
CID 61456565
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
(2S)-5-amino-2-(3-methoxypropylsulfonylamino)-5-oxopentanoic acid
CID 55172494

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide (CID 76994145) is N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide is COCCCS(=O)(=O)NC(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide?
The InChIKey is ODBXETOMEZWADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-7(6-8(9)10-12)11-16(13,14)5-3-4-15-2/h7,11-12H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide?
N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide has a molecular weight of 253.32 g/mol, XLogP of -0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide is sourced from PubChem (CID 76994145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).