3-(tert-butylsulfamoylamino)propanimidamide

C7H18N4O2S — CID 114813210

IUPAC3-(tert-butylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H18N4O2S/c1-7(2,3)11-14(12,13)10-5-4-6(8)9/h10-11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyFZVPPYJCZDURII-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.47
Rot. Bonds5

About 3-(tert-butylsulfamoylamino)propanimidamide

3-(tert-butylsulfamoylamino)propanimidamide (PubChem CID 114813210) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(tert-butylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoylamino)propanimidamide
PubChem CID114813210
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC Name3-(tert-butylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H18N4O2S/c1-7(2,3)11-14(12,13)10-5-4-6(8)9/h10-11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyFZVPPYJCZDURII-UHFFFAOYSA-N
XLogP-0.47
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.47
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

3-(Dimethylsulfamoylamino)-2-methylpropanimidamide
CID 64405507
2-Methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64405515
3-(Dimethylsulfamoylamino)propanimidamide
CID 64405647
3-(Dimethylsulfamoylamino)butanimidamide
CID 64406030
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691
3-(Diethylsulfamoylamino)propanimidamide
CID 64408154
3-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978423
3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978430
3-(Propan-2-ylsulfamoylamino)butanimidamide
CID 114813148
3-(Cyclopropylsulfamoylamino)butanimidamide
CID 114813149
3-(Methylsulfamoylamino)butanimidamide
CID 114813150
3-(Tert-butylsulfamoylamino)butanimidamide
CID 114813152

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoylamino)propanimidamide?
The IUPAC name of 3-(tert-butylsulfamoylamino)propanimidamide (CID 114813210) is 3-(tert-butylsulfamoylamino)propanimidamide.
What is the SMILES notation for 3-(tert-butylsulfamoylamino)propanimidamide?
The canonical SMILES for 3-(tert-butylsulfamoylamino)propanimidamide is [H]/N=C(\N)CCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoylamino)propanimidamide?
The InChIKey is FZVPPYJCZDURII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-7(2,3)11-14(12,13)10-5-4-6(8)9/h10-11H,4-5H2,1-3H3,(H3,8,9).
What are the key properties of 3-(tert-butylsulfamoylamino)propanimidamide?
3-(tert-butylsulfamoylamino)propanimidamide has a molecular weight of 222.31 g/mol, XLogP of -0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).