4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide

C8H20N4O3S — CID 104978417

IUPAC4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCC(C)(C)NS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-8(2,3)12-16(14,15)10-6-4-5-7(9)11-13/h10,12-13H,4-6H2,1-3H3,(H2,9,11)
InChIKeyRBBQSSFQCHVQQQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.26
Rot. Bonds6

About 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide

4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide (PubChem CID 104978417) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
PubChem CID104978417
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC Name4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCC(C)(C)NS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-8(2,3)12-16(14,15)10-6-4-5-7(9)11-13/h10,12-13H,4-6H2,1-3H3,(H2,9,11)
InChIKeyRBBQSSFQCHVQQQ-UHFFFAOYSA-N
XLogP-0.26
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
3-(diethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934598
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 76934729
4-(diethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76953043
N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 76953165
N'-hydroxy-2-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76953301
4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76953329
N'-hydroxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 77036891
N'-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 77038575
3-[tert-butylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104978250
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide (CID 104978417) is 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide is CC(C)(C)NS(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide?
The InChIKey is RBBQSSFQCHVQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-8(2,3)12-16(14,15)10-6-4-5-7(9)11-13/h10,12-13H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide?
4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 104978417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).