N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine

C₇H₂₀N₄O₂S — CID 155056327

About N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine

N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine (PubChem CID 155056327) has the molecular formula C₇H₂₀N₄O₂S and a molecular weight of 224.33 g/mol. Its IUPAC name is N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine
• PubChem CID: 155056327
• Molecular Formula: C₇H₂₀N₄O₂S
• Molecular Weight: 224.33 g/mol
• Exact Mass: 224.13
• IUPAC Name: N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine
• SMILES: CCN(CCN)S(=O)(=O)N(C)CCN
• InChI: InChI=1S/C7H20N4O2S/c1-3-11(7-5-9)14(12,13)10(2)6-4-8/h3-9H2,1-2H3
• InChIKey: SDGJXIJTDFNNJL-UHFFFAOYSA-N
• XLogP: -1.60
• TPSA: 92.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.33
LogP ≤ 5	-1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine?

The IUPAC name of N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine (CID 155056327) is N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine.

What is the SMILES notation for N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine?

The canonical SMILES for N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine is CCN(CCN)S(=O)(=O)N(C)CCN.

What is the InChIKey of N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine?

The InChIKey is SDGJXIJTDFNNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N4O2S/c1-3-11(7-5-9)14(12,13)10(2)6-4-8/h3-9H2,1-2H3.

What are the key properties of N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine?

N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine has a molecular weight of 224.33 g/mol, XLogP of -1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-aminoethyl(ethyl)sulfamoyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 155056327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155056327 — identifiers, structure, computed properties (public domain)

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