1-(ethylsulfanylsulfonylamino)butane

C6H15NO2S2 — CID 174743964

IUPAC1-(ethylsulfanylsulfonylamino)butane
SMILESCCCCNS(=O)(=O)SCC
InChIInChI=1S/C6H15NO2S2/c1-3-5-6-7-11(8,9)10-4-2/h7H,3-6H2,1-2H3
InChIKeyGTEXMMRRBSQVOY-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.37
Rot. Bonds6

About 1-(ethylsulfanylsulfonylamino)butane

1-(ethylsulfanylsulfonylamino)butane (PubChem CID 174743964) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(ethylsulfanylsulfonylamino)butane.

Molecular Properties

Compound Name1-(ethylsulfanylsulfonylamino)butane
PubChem CID174743964
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC Name1-(ethylsulfanylsulfonylamino)butane
SMILESCCCCNS(=O)(=O)SCC
InChIInChI=1S/C6H15NO2S2/c1-3-5-6-7-11(8,9)10-4-2/h7H,3-6H2,1-2H3
InChIKeyGTEXMMRRBSQVOY-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfanylsulfonylamino)butane?
The IUPAC name of 1-(ethylsulfanylsulfonylamino)butane (CID 174743964) is 1-(ethylsulfanylsulfonylamino)butane.
What is the SMILES notation for 1-(ethylsulfanylsulfonylamino)butane?
The canonical SMILES for 1-(ethylsulfanylsulfonylamino)butane is CCCCNS(=O)(=O)SCC.
What is the InChIKey of 1-(ethylsulfanylsulfonylamino)butane?
The InChIKey is GTEXMMRRBSQVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-3-5-6-7-11(8,9)10-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-(ethylsulfanylsulfonylamino)butane?
1-(ethylsulfanylsulfonylamino)butane has a molecular weight of 197.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfanylsulfonylamino)butane is sourced from PubChem (CID 174743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).