3-(propan-2-ylsulfamoylamino)propanimidamide

C6H16N4O2S — CID 114813206

IUPAC3-(propan-2-ylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NC(C)C
InChIInChI=1S/C6H16N4O2S/c1-5(2)10-13(11,12)9-4-3-6(7)8/h5,9-10H,3-4H2,1-2H3,(H3,7,8)
InChIKeyKDIQZRZPWKCATC-UHFFFAOYSA-N
MW208.29 g/mol
LogP-0.86
Rot. Bonds6

About 3-(propan-2-ylsulfamoylamino)propanimidamide

3-(propan-2-ylsulfamoylamino)propanimidamide (PubChem CID 114813206) has the molecular formula C6H16N4O2S and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoylamino)propanimidamide
PubChem CID114813206
Molecular FormulaC6H16N4O2S
Molecular Weight208.29 g/mol
Exact Mass208.10
IUPAC Name3-(propan-2-ylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NC(C)C
InChIInChI=1S/C6H16N4O2S/c1-5(2)10-13(11,12)9-4-3-6(7)8/h5,9-10H,3-4H2,1-2H3,(H3,7,8)
InChIKeyKDIQZRZPWKCATC-UHFFFAOYSA-N
XLogP-0.86
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-0.86
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-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
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-[Dimethylsulfamoyl(propan-2-yl)amino]propanimidamide
CID 64406071
4-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406131
2-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406146
2-(Dimethylsulfamoylamino)butanimidamide
CID 64406348
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64406503
3-[Methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406653
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoylamino)propanimidamide?
The IUPAC name of 3-(propan-2-ylsulfamoylamino)propanimidamide (CID 114813206) is 3-(propan-2-ylsulfamoylamino)propanimidamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoylamino)propanimidamide?
The canonical SMILES for 3-(propan-2-ylsulfamoylamino)propanimidamide is [H]/N=C(\N)CCNS(=O)(=O)NC(C)C.
What is the InChIKey of 3-(propan-2-ylsulfamoylamino)propanimidamide?
The InChIKey is KDIQZRZPWKCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O2S/c1-5(2)10-13(11,12)9-4-3-6(7)8/h5,9-10H,3-4H2,1-2H3,(H3,7,8).
What are the key properties of 3-(propan-2-ylsulfamoylamino)propanimidamide?
3-(propan-2-ylsulfamoylamino)propanimidamide has a molecular weight of 208.29 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).