1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane

C6H17N3O3S — CID 114812959

IUPAC1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane
SMILESCNS(=O)(=O)N(CCN)CCOC
InChIInChI=1S/C6H17N3O3S/c1-8-13(10,11)9(4-3-7)5-6-12-2/h8H,3-7H2,1-2H3
InChIKeyBDVZCXAIUUPWOR-UHFFFAOYSA-N
MW211.29 g/mol
LogP-1.64
Rot. Bonds7

About 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane

1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane (PubChem CID 114812959) has the molecular formula C6H17N3O3S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane.

Molecular Properties

Compound Name1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane
PubChem CID114812959
Molecular FormulaC6H17N3O3S
Molecular Weight211.29 g/mol
Exact Mass211.10
IUPAC Name1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane
SMILESCNS(=O)(=O)N(CCN)CCOC
InChIInChI=1S/C6H17N3O3S/c1-8-13(10,11)9(4-3-7)5-6-12-2/h8H,3-7H2,1-2H3
InChIKeyBDVZCXAIUUPWOR-UHFFFAOYSA-N
XLogP-1.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane?
The IUPAC name of 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane (CID 114812959) is 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane.
What is the SMILES notation for 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane?
The canonical SMILES for 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane is CNS(=O)(=O)N(CCN)CCOC.
What is the InChIKey of 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane?
The InChIKey is BDVZCXAIUUPWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O3S/c1-8-13(10,11)9(4-3-7)5-6-12-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane?
1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane has a molecular weight of 211.29 g/mol, XLogP of -1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-methoxyethyl(methylsulfamoyl)amino]ethane is sourced from PubChem (CID 114812959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).