2-[propyl(sulfamoyl)amino]ethanimidamide

C5H14N4O2S — CID 114959687

IUPAC2-[propyl(sulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCC)S(N)(=O)=O
InChIInChI=1S/C5H14N4O2S/c1-2-3-9(4-5(6)7)12(8,10)11/h2-4H2,1H3,(H3,6,7)(H2,8,10,11)
InChIKeyCRERCBRBTIBUOP-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.16
Rot. Bonds5

About 2-[propyl(sulfamoyl)amino]ethanimidamide

2-[propyl(sulfamoyl)amino]ethanimidamide (PubChem CID 114959687) has the molecular formula C5H14N4O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-[propyl(sulfamoyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[propyl(sulfamoyl)amino]ethanimidamide
PubChem CID114959687
Molecular FormulaC5H14N4O2S
Molecular Weight194.26 g/mol
Exact Mass194.08
IUPAC Name2-[propyl(sulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCC)S(N)(=O)=O
InChIInChI=1S/C5H14N4O2S/c1-2-3-9(4-5(6)7)12(8,10)11/h2-4H2,1H3,(H3,6,7)(H2,8,10,11)
InChIKeyCRERCBRBTIBUOP-UHFFFAOYSA-N
XLogP-1.16
TPSA113.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
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-[cyclopropylmethyl(propyl)amino]ethanimidamide
CID 61441797
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
2-[methyl(propylsulfamoyl)amino]ethanimidamide
CID 114813264
3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
CID 64989198
3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
CID 106725449
2-(diethylamino)ethanimidamide
CID 3259588
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
CID 79600077
2-[ethyl(2-methoxyethylsulfamoyl)amino]ethanimidamide
CID 114816876
2-[hydroxy(methyl)amino]ethanimidamide
CID 87382268
2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide
CID 114813558
3-[dimethylamino(ethyl)amino]propanimidamide
CID 150321810
2-[cyclopentylsulfonyl(methyl)amino]ethanimidamide
CID 105361938

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(sulfamoyl)amino]ethanimidamide?
The IUPAC name of 2-[propyl(sulfamoyl)amino]ethanimidamide (CID 114959687) is 2-[propyl(sulfamoyl)amino]ethanimidamide.
What is the SMILES notation for 2-[propyl(sulfamoyl)amino]ethanimidamide?
The canonical SMILES for 2-[propyl(sulfamoyl)amino]ethanimidamide is [H]/N=C(\N)CN(CCC)S(N)(=O)=O.
What is the InChIKey of 2-[propyl(sulfamoyl)amino]ethanimidamide?
The InChIKey is CRERCBRBTIBUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O2S/c1-2-3-9(4-5(6)7)12(8,10)11/h2-4H2,1H3,(H3,6,7)(H2,8,10,11).
What are the key properties of 2-[propyl(sulfamoyl)amino]ethanimidamide?
2-[propyl(sulfamoyl)amino]ethanimidamide has a molecular weight of 194.26 g/mol, XLogP of -1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(sulfamoyl)amino]ethanimidamide is sourced from PubChem (CID 114959687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).