1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane

C7H18N2O4S — CID 118569750

IUPAC1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane
SMILESCOCCOCCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O4S/c1-9(2)14(10,11)8-4-5-13-7-6-12-3/h8H,4-7H2,1-3H3
InChIKeyMFUMYIGDCLSFKL-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.95
Rot. Bonds8

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

1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane (PubChem CID 118569750) has the molecular formula C7H18N2O4S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane
PubChem CID118569750
Molecular FormulaC7H18N2O4S
Molecular Weight226.30 g/mol
Exact Mass226.10
IUPAC Name1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane
SMILESCOCCOCCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O4S/c1-9(2)14(10,11)8-4-5-13-7-6-12-3/h8H,4-7H2,1-3H3
InChIKeyMFUMYIGDCLSFKL-UHFFFAOYSA-N
XLogP-0.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.95
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 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane (CID 118569750) is 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane is COCCOCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane?
The InChIKey is MFUMYIGDCLSFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4S/c1-9(2)14(10,11)8-4-5-13-7-6-12-3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane?
1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane has a molecular weight of 226.30 g/mol, XLogP of -0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-(2-methoxyethoxy)ethane is sourced from PubChem (CID 118569750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).