3-(propylsulfamoylamino)propanimidamide

C6H16N4O2S — CID 114813212

IUPAC3-(propylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NCCC
InChIInChI=1S/C6H16N4O2S/c1-2-4-9-13(11,12)10-5-3-6(7)8/h9-10H,2-5H2,1H3,(H3,7,8)
InChIKeyCWAZMOVGLYTNFP-UHFFFAOYSA-N
MW208.29 g/mol
LogP-0.85
Rot. Bonds7

About 3-(propylsulfamoylamino)propanimidamide

3-(propylsulfamoylamino)propanimidamide (PubChem CID 114813212) has the molecular formula C6H16N4O2S and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-(propylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name3-(propylsulfamoylamino)propanimidamide
PubChem CID114813212
Molecular FormulaC6H16N4O2S
Molecular Weight208.29 g/mol
Exact Mass208.10
IUPAC Name3-(propylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NCCC
InChIInChI=1S/C6H16N4O2S/c1-2-4-9-13(11,12)10-5-3-6(7)8/h9-10H,2-5H2,1H3,(H3,7,8)
InChIKeyCWAZMOVGLYTNFP-UHFFFAOYSA-N
XLogP-0.85
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-0.85
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)propanimidamide
CID 114813209
3-(Dimethylsulfamoylamino)-2-methylpropanimidamide
CID 64405507
3-(Dimethylsulfamoylamino)propanimidamide
CID 64405647
3-[Diethylsulfamoyl(ethyl)amino]propanimidamide
CID 64405867
3-(Dimethylsulfamoylamino)butanimidamide
CID 64406030
3-[Dimethylsulfamoyl(methyl)amino]-2-methylpropanimidamide
CID 64406089
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691
3-(Methanesulfonamido)propanimidamide
CID 64406904
3-[Dimethylsulfamoyl(ethyl)amino]propanimidamide
CID 64406915
3-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64407081
4-(Diethylsulfamoylamino)butanimidamide
CID 64407593
3-(Diethylsulfamoylamino)propanimidamide
CID 64408154

Frequently Asked Questions

What is the IUPAC name of 3-(propylsulfamoylamino)propanimidamide?
The IUPAC name of 3-(propylsulfamoylamino)propanimidamide (CID 114813212) is 3-(propylsulfamoylamino)propanimidamide.
What is the SMILES notation for 3-(propylsulfamoylamino)propanimidamide?
The canonical SMILES for 3-(propylsulfamoylamino)propanimidamide is [H]/N=C(\N)CCNS(=O)(=O)NCCC.
What is the InChIKey of 3-(propylsulfamoylamino)propanimidamide?
The InChIKey is CWAZMOVGLYTNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O2S/c1-2-4-9-13(11,12)10-5-3-6(7)8/h9-10H,2-5H2,1H3,(H3,7,8).
What are the key properties of 3-(propylsulfamoylamino)propanimidamide?
3-(propylsulfamoylamino)propanimidamide has a molecular weight of 208.29 g/mol, XLogP of -0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).