1-(dimethylsulfamoylamino)-2-methoxyethane

C5H14N2O3S — CID 4628763

IUPAC1-(dimethylsulfamoylamino)-2-methoxyethane
SMILESCOCCNS(=O)(=O)N(C)C
InChIInChI=1S/C5H14N2O3S/c1-7(2)11(8,9)6-4-5-10-3/h6H,4-5H2,1-3H3
InChIKeyAKQFWZSJGCPBKU-UHFFFAOYSA-N
MW182.24 g/mol
LogP-0.97
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-2-methoxyethane

1-(dimethylsulfamoylamino)-2-methoxyethane (PubChem CID 4628763) has the molecular formula C5H14N2O3S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-methoxyethane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-methoxyethane
PubChem CID4628763
Molecular FormulaC5H14N2O3S
Molecular Weight182.24 g/mol
Exact Mass182.07
IUPAC Name1-(dimethylsulfamoylamino)-2-methoxyethane
SMILESCOCCNS(=O)(=O)N(C)C
InChIInChI=1S/C5H14N2O3S/c1-7(2)11(8,9)6-4-5-10-3/h6H,4-5H2,1-3H3
InChIKeyAKQFWZSJGCPBKU-UHFFFAOYSA-N
XLogP-0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((2-Methoxyethyl)(methyl)sulfamoyl)amine
CID 61067625
Sulfamide, N'-(2-hydroxyethyl)-N,N-dimethyl-
CID 3657512
N-(2-Methoxyethyl)sulfamide
CID 17834439
2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine
CID 18447058
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
1-Ethoxy-2-(sulfinatoamino)ethane
CID 57177456
Potassium 2-methoxyethylsulfamoylazanide
CID 58923853
N-(2-methoxyethyl)sulfamate
CID 59847909
1-(Diethylsulfamoylamino)-2-methoxyethane
CID 60713711
2-[2-Methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
1-Ethoxy-2-[methyl(sulfamoyl)amino]ethane
CID 81062689
2-Methoxyethanesulfamic acid amide potassium salt
CID 86613652

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-2-methoxyethane?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-methoxyethane (CID 4628763) is 1-(dimethylsulfamoylamino)-2-methoxyethane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-methoxyethane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-methoxyethane is COCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-methoxyethane?
The InChIKey is AKQFWZSJGCPBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S/c1-7(2)11(8,9)6-4-5-10-3/h6H,4-5H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-methoxyethane?
1-(dimethylsulfamoylamino)-2-methoxyethane has a molecular weight of 182.24 g/mol, XLogP of -0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-methoxyethane is sourced from PubChem (CID 4628763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).