1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea

C5H14N4O2S2 — CID 106339436

IUPAC1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea
SMILESCCNS(=O)(=O)CCNC(=S)NN
InChIInChI=1S/C5H14N4O2S2/c1-2-8-13(10,11)4-3-7-5(12)9-6/h8H,2-4,6H2,1H3,(H2,7,9,12)
InChIKeyLHPPROLLOPWGQJ-UHFFFAOYSA-N
MW226.33 g/mol
LogP-1.74
Rot. Bonds5

About 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea

1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea (PubChem CID 106339436) has the molecular formula C5H14N4O2S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea
PubChem CID106339436
Molecular FormulaC5H14N4O2S2
Molecular Weight226.33 g/mol
Exact Mass226.06
IUPAC Name1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea
SMILESCCNS(=O)(=O)CCNC(=S)NN
InChIInChI=1S/C5H14N4O2S2/c1-2-8-13(10,11)4-3-7-5(12)9-6/h8H,2-4,6H2,1H3,(H2,7,9,12)
InChIKeyLHPPROLLOPWGQJ-UHFFFAOYSA-N
XLogP-1.74
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea?
The IUPAC name of 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea (CID 106339436) is 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea is CCNS(=O)(=O)CCNC(=S)NN.
What is the InChIKey of 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea?
The InChIKey is LHPPROLLOPWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O2S2/c1-2-8-13(10,11)4-3-7-5(12)9-6/h8H,2-4,6H2,1H3,(H2,7,9,12).
What are the key properties of 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea?
1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea has a molecular weight of 226.33 g/mol, XLogP of -1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(ethylsulfamoyl)ethyl]thiourea is sourced from PubChem (CID 106339436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).