1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane

C6H16N2O2S — CID 170119938

IUPAC1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane
SMILESCCN(C)S(=O)NCCOC
InChIInChI=1S/C6H16N2O2S/c1-4-8(2)11(9)7-5-6-10-3/h7H,4-6H2,1-3H3
InChIKeyFTBBYGRJZBXSPZ-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.25
Rot. Bonds6

About 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane

1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane (PubChem CID 170119938) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane.

Molecular Properties

Compound Name1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane
PubChem CID170119938
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane
SMILESCCN(C)S(=O)NCCOC
InChIInChI=1S/C6H16N2O2S/c1-4-8(2)11(9)7-5-6-10-3/h7H,4-6H2,1-3H3
InChIKeyFTBBYGRJZBXSPZ-UHFFFAOYSA-N
XLogP-0.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.25
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-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane?
The IUPAC name of 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane (CID 170119938) is 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane.
What is the SMILES notation for 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane?
The canonical SMILES for 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane is CCN(C)S(=O)NCCOC.
What is the InChIKey of 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane?
The InChIKey is FTBBYGRJZBXSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-4-8(2)11(9)7-5-6-10-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane?
1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane has a molecular weight of 180.27 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(methyl)sulfinamoyl]amino]-2-methoxyethane is sourced from PubChem (CID 170119938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).