1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane

C7H19N3O3S — CID 83039202

IUPAC1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane
SMILESCOCCNCCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H19N3O3S/c1-10(2)14(11,12)9-5-4-8-6-7-13-3/h8-9H,4-7H2,1-3H3
InChIKeyBDHBULWHAWSTIA-UHFFFAOYSA-N
MW225.31 g/mol
LogP-1.38
Rot. Bonds8

About 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane

1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane (PubChem CID 83039202) has the molecular formula C7H19N3O3S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane
PubChem CID83039202
Molecular FormulaC7H19N3O3S
Molecular Weight225.31 g/mol
Exact Mass225.11
IUPAC Name1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane
SMILESCOCCNCCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H19N3O3S/c1-10(2)14(11,12)9-5-4-8-6-7-13-3/h8-9H,4-7H2,1-3H3
InChIKeyBDHBULWHAWSTIA-UHFFFAOYSA-N
XLogP-1.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
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 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane (CID 83039202) is 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane is COCCNCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane?
The InChIKey is BDHBULWHAWSTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O3S/c1-10(2)14(11,12)9-5-4-8-6-7-13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane?
1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane has a molecular weight of 225.31 g/mol, XLogP of -1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-(2-methoxyethylamino)ethane is sourced from PubChem (CID 83039202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).