1-(diethylsulfinamoylamino)-2-methoxyethane

C7H18N2O2S — CID 155587227

IUPAC1-(diethylsulfinamoylamino)-2-methoxyethane
SMILESCCN(CC)S(=O)NCCOC
InChIInChI=1S/C7H18N2O2S/c1-4-9(5-2)12(10)8-6-7-11-3/h8H,4-7H2,1-3H3
InChIKeyXXUKZRCIKNIHKR-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.14
Rot. Bonds7

About 1-(diethylsulfinamoylamino)-2-methoxyethane

1-(diethylsulfinamoylamino)-2-methoxyethane (PubChem CID 155587227) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(diethylsulfinamoylamino)-2-methoxyethane.

Molecular Properties

Compound Name1-(diethylsulfinamoylamino)-2-methoxyethane
PubChem CID155587227
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name1-(diethylsulfinamoylamino)-2-methoxyethane
SMILESCCN(CC)S(=O)NCCOC
InChIInChI=1S/C7H18N2O2S/c1-4-9(5-2)12(10)8-6-7-11-3/h8H,4-7H2,1-3H3
InChIKeyXXUKZRCIKNIHKR-UHFFFAOYSA-N
XLogP0.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(diethylsulfinamoylamino)-2-methoxyethane?
The IUPAC name of 1-(diethylsulfinamoylamino)-2-methoxyethane (CID 155587227) is 1-(diethylsulfinamoylamino)-2-methoxyethane.
What is the SMILES notation for 1-(diethylsulfinamoylamino)-2-methoxyethane?
The canonical SMILES for 1-(diethylsulfinamoylamino)-2-methoxyethane is CCN(CC)S(=O)NCCOC.
What is the InChIKey of 1-(diethylsulfinamoylamino)-2-methoxyethane?
The InChIKey is XXUKZRCIKNIHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-9(5-2)12(10)8-6-7-11-3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(diethylsulfinamoylamino)-2-methoxyethane?
1-(diethylsulfinamoylamino)-2-methoxyethane has a molecular weight of 194.30 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfinamoylamino)-2-methoxyethane is sourced from PubChem (CID 155587227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).