N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine

C6H17N3O3S — CID 114811308

IUPACN-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine
SMILESCNS(=O)(=O)NCCNCCOC
InChIInChI=1S/C6H17N3O3S/c1-7-13(10,11)9-4-3-8-5-6-12-2/h7-9H,3-6H2,1-2H3
InChIKeySMILUFKKJGEYBA-UHFFFAOYSA-N
MW211.29 g/mol
LogP-1.72
Rot. Bonds8

About N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine (PubChem CID 114811308) has the molecular formula C6H17N3O3S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine
PubChem CID114811308
Molecular FormulaC6H17N3O3S
Molecular Weight211.29 g/mol
Exact Mass211.10
IUPAC NameN-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine
SMILESCNS(=O)(=O)NCCNCCOC
InChIInChI=1S/C6H17N3O3S/c1-7-13(10,11)9-4-3-8-5-6-12-2/h7-9H,3-6H2,1-2H3
InChIKeySMILUFKKJGEYBA-UHFFFAOYSA-N
XLogP-1.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N2-(2-Methoxyethyl)-N1,N1-dimethyl-1,2-ethanediamine
CID 23313977
2-[2-Aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane
CID 107493828
2-[2-Aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493915
N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 113637462
2-[[2-Aminoethyl(2-methoxyethyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 113637720
N~1~,N~2~-Bis(2-methoxyethyl)ethane-1,2-diamine
CID 13599000
N'-[2-(2-methoxyethylamino)ethyl]ethane-1,2-diamine
CID 15685487
N',N'-bis(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 18965059
N-ethyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 18965125
N,N'-bis(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 21754267
N'-ethyl-N,N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 21754279
N-(2-methoxyethyl)piperazine-1-sulfonamide
CID 28775604

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine (CID 114811308) is N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine is CNS(=O)(=O)NCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine?
The InChIKey is SMILUFKKJGEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O3S/c1-7-13(10,11)9-4-3-8-5-6-12-2/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine has a molecular weight of 211.29 g/mol, XLogP of -1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(methylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 114811308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).