3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide

C8H18N4O2S — CID 114813476

IUPAC3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NCC
InChIInChI=1S/C8H18N4O2S/c1-2-11-15(13,14)12(7-3-4-7)6-5-8(9)10/h7,11H,2-6H2,1H3,(H3,9,10)
InChIKeyGUWDJJSGZSSAMG-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.37
Rot. Bonds7

About 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide

3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide (PubChem CID 114813476) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
PubChem CID114813476
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NCC
InChIInChI=1S/C8H18N4O2S/c1-2-11-15(13,14)12(7-3-4-7)6-5-8(9)10/h7,11H,2-6H2,1H3,(H3,9,10)
InChIKeyGUWDJJSGZSSAMG-UHFFFAOYSA-N
XLogP-0.37
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.37
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

3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
CID 114805583
2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide
CID 114808448
3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 64750264
[2-aminoethyl(propylsulfamoyl)amino]cyclopropane
CID 114803736
3-[cyclopropyl(2-methoxyethyl)amino]propanimidamide
CID 61451724
[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane
CID 114807765
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961
3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
CID 64989198
2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide
CID 114813558
3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide
CID 64750263
3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide
CID 114813460
2-[propyl(sulfamoyl)amino]ethanimidamide
CID 114959687

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide (CID 114813476) is 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide is [H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NCC.
What is the InChIKey of 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide?
The InChIKey is GUWDJJSGZSSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-2-11-15(13,14)12(7-3-4-7)6-5-8(9)10/h7,11H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide?
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide has a molecular weight of 234.32 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 114813476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).