2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine

C₁₀H₂₅N₃O₂S — CID 106141764

About 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine

2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine (PubChem CID 106141764) has the molecular formula C₁₀H₂₅N₃O₂S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine
• PubChem CID: 106141764
• Molecular Formula: C₁₀H₂₅N₃O₂S
• Molecular Weight: 251.40 g/mol
• Exact Mass: 251.17
• IUPAC Name: 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine
• SMILES: CC(C)NS(=O)(=O)NCC(C)(C)CCCN
• InChI: InChI=1S/C10H25N3O2S/c1-9(2)13-16(14,15)12-8-10(3,4)6-5-7-11/h9,12-13H,5-8,11H2,1-4H3
• InChIKey: GRHWIHISNSDLER-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 84.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.40
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine?

The IUPAC name of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine (CID 106141764) is 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine.

What is the SMILES notation for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine?

The canonical SMILES for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine is CC(C)NS(=O)(=O)NCC(C)(C)CCCN.

What is the InChIKey of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine?

The InChIKey is GRHWIHISNSDLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-9(2)13-16(14,15)12-8-10(3,4)6-5-7-11/h9,12-13H,5-8,11H2,1-4H3.

What are the key properties of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine?

2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine has a molecular weight of 251.40 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine is sourced from PubChem (CID 106141764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106141764 — identifiers, structure, computed properties (public domain)

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