N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine

C11H27N3O3S — CID 112752095

IUPACN'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
SMILESCCOCCCCNCCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C11H27N3O3S/c1-5-17-11-7-6-8-12-9-10-14(4)18(15,16)13(2)3/h12H,5-11H2,1-4H3
InChIKeyCMGRMHGVFHAQEX-UHFFFAOYSA-N
MW281.42 g/mol
LogP0.13
Rot. Bonds11

About N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine

N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine (PubChem CID 112752095) has the molecular formula C11H27N3O3S and a molecular weight of 281.42 g/mol. Its IUPAC name is N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
PubChem CID112752095
Molecular FormulaC11H27N3O3S
Molecular Weight281.42 g/mol
Exact Mass281.18
IUPAC NameN'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
SMILESCCOCCCCNCCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C11H27N3O3S/c1-5-17-11-7-6-8-12-9-10-14(4)18(15,16)13(2)3/h12H,5-11H2,1-4H3
InChIKeyCMGRMHGVFHAQEX-UHFFFAOYSA-N
XLogP0.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine (CID 112752095) is N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine is CCOCCCCNCCN(C)S(=O)(=O)N(C)C.
What is the InChIKey of N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine?
The InChIKey is CMGRMHGVFHAQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O3S/c1-5-17-11-7-6-8-12-9-10-14(4)18(15,16)13(2)3/h12H,5-11H2,1-4H3.
What are the key properties of N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine?
N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine has a molecular weight of 281.42 g/mol, XLogP of 0.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dimethylsulfamoyl)-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 112752095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).