3-(tert-butylsulfamoylamino)butanimidamide

C8H20N4O2S — CID 114813152

IUPAC3-(tert-butylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H20N4O2S/c1-6(5-7(9)10)11-15(13,14)12-8(2,3)4/h6,11-12H,5H2,1-4H3,(H3,9,10)
InChIKeyJNGQVRQHKYJCCF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.08
Rot. Bonds5

About 3-(tert-butylsulfamoylamino)butanimidamide

3-(tert-butylsulfamoylamino)butanimidamide (PubChem CID 114813152) has the molecular formula C8H20N4O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(tert-butylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoylamino)butanimidamide
PubChem CID114813152
Molecular FormulaC8H20N4O2S
Molecular Weight236.34 g/mol
Exact Mass236.13
IUPAC Name3-(tert-butylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H20N4O2S/c1-6(5-7(9)10)11-15(13,14)12-8(2,3)4/h6,11-12H,5H2,1-4H3,(H3,9,10)
InChIKeyJNGQVRQHKYJCCF-UHFFFAOYSA-N
XLogP-0.08
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64405515
3-(Dimethylsulfamoylamino)butanimidamide
CID 64406030
4-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406131
2-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406146
3-[Methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406653
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691
3-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64407081
3-(Tert-butylsulfonylamino)butanimidamide
CID 64407284
3-(Diethylsulfamoylamino)pentanimidamide
CID 64408462
3-(Diethylsulfamoylamino)butanimidamide
CID 64408533
3-[[Methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 64408658
3-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64426801

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoylamino)butanimidamide?
The IUPAC name of 3-(tert-butylsulfamoylamino)butanimidamide (CID 114813152) is 3-(tert-butylsulfamoylamino)butanimidamide.
What is the SMILES notation for 3-(tert-butylsulfamoylamino)butanimidamide?
The canonical SMILES for 3-(tert-butylsulfamoylamino)butanimidamide is [H]/N=C(\N)CC(C)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoylamino)butanimidamide?
The InChIKey is JNGQVRQHKYJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S/c1-6(5-7(9)10)11-15(13,14)12-8(2,3)4/h6,11-12H,5H2,1-4H3,(H3,9,10).
What are the key properties of 3-(tert-butylsulfamoylamino)butanimidamide?
3-(tert-butylsulfamoylamino)butanimidamide has a molecular weight of 236.34 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).