N'-hydroxy-3-(propylsulfamoylamino)butanimidamide

C7H18N4O3S — CID 104978411

IUPACN'-hydroxy-3-(propylsulfamoylamino)butanimidamide
SMILESCCCNS(=O)(=O)NC(C)CC(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-3-4-9-15(13,14)11-6(2)5-7(8)10-12/h6,9,11-12H,3-5H2,1-2H3,(H2,8,10)
InChIKeyNBSMGPWSACTSDE-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.65
Rot. Bonds7

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

N'-hydroxy-3-(propylsulfamoylamino)butanimidamide (PubChem CID 104978411) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-hydroxy-3-(propylsulfamoylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(propylsulfamoylamino)butanimidamide
PubChem CID104978411
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC NameN'-hydroxy-3-(propylsulfamoylamino)butanimidamide
SMILESCCCNS(=O)(=O)NC(C)CC(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-3-4-9-15(13,14)11-6(2)5-7(8)10-12/h6,9,11-12H,3-5H2,1-2H3,(H2,8,10)
InChIKeyNBSMGPWSACTSDE-UHFFFAOYSA-N
XLogP-0.65
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
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

N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
CID 76994145
N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
CID 76934536
N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077329
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934796
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422
4-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106353409
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea
CID 83121441

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(propylsulfamoylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(propylsulfamoylamino)butanimidamide (CID 104978411) is N'-hydroxy-3-(propylsulfamoylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(propylsulfamoylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(propylsulfamoylamino)butanimidamide is CCCNS(=O)(=O)NC(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(propylsulfamoylamino)butanimidamide?
The InChIKey is NBSMGPWSACTSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-3-4-9-15(13,14)11-6(2)5-7(8)10-12/h6,9,11-12H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of N'-hydroxy-3-(propylsulfamoylamino)butanimidamide?
N'-hydroxy-3-(propylsulfamoylamino)butanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(propylsulfamoylamino)butanimidamide is sourced from PubChem (CID 104978411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).