2-[methyl(propylsulfamoyl)amino]ethanimidamide

C6H16N4O2S — CID 114813264

IUPAC2-[methyl(propylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)S(=O)(=O)NCCC
InChIInChI=1S/C6H16N4O2S/c1-3-4-9-13(11,12)10(2)5-6(7)8/h9H,3-5H2,1-2H3,(H3,7,8)
InChIKeyFJCCWZWMESOABI-UHFFFAOYSA-N
MW208.29 g/mol
LogP-0.90
Rot. Bonds6

About 2-[methyl(propylsulfamoyl)amino]ethanimidamide

2-[methyl(propylsulfamoyl)amino]ethanimidamide (PubChem CID 114813264) has the molecular formula C6H16N4O2S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-[methyl(propylsulfamoyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(propylsulfamoyl)amino]ethanimidamide
PubChem CID114813264
Molecular FormulaC6H16N4O2S
Molecular Weight208.29 g/mol
Exact Mass208.10
IUPAC Name2-[methyl(propylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)S(=O)(=O)NCCC
InChIInChI=1S/C6H16N4O2S/c1-3-4-9-13(11,12)10(2)5-6(7)8/h9H,3-5H2,1-2H3,(H3,7,8)
InChIKeyFJCCWZWMESOABI-UHFFFAOYSA-N
XLogP-0.90
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-0.90
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-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide
CID 114813558
2-[ethyl(2-methoxyethylsulfamoyl)amino]ethanimidamide
CID 114816876
3-[propylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
CID 114813470
N'-hydroxy-2-methyl-3-[methyl(propylsulfamoyl)amino]propanimidamide
CID 104978362
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
2-[cyclopentylsulfonyl(methyl)amino]ethanimidamide
CID 105361938
2-[propyl(sulfamoyl)amino]ethanimidamide
CID 114959687
2-[hydroxy(methyl)amino]ethanimidamide
CID 87382268
2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide
CID 114813390
2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
CID 79599987
2-(diethylamino)ethanimidamide
CID 3259588
3-N,3-N-dimethylpropanediimidamide
CID 58160656

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propylsulfamoyl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(propylsulfamoyl)amino]ethanimidamide (CID 114813264) is 2-[methyl(propylsulfamoyl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(propylsulfamoyl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(propylsulfamoyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)S(=O)(=O)NCCC.
What is the InChIKey of 2-[methyl(propylsulfamoyl)amino]ethanimidamide?
The InChIKey is FJCCWZWMESOABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O2S/c1-3-4-9-13(11,12)10(2)5-6(7)8/h9H,3-5H2,1-2H3,(H3,7,8).
What are the key properties of 2-[methyl(propylsulfamoyl)amino]ethanimidamide?
2-[methyl(propylsulfamoyl)amino]ethanimidamide has a molecular weight of 208.29 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propylsulfamoyl)amino]ethanimidamide is sourced from PubChem (CID 114813264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).