2-ethylsulfanyl-N-methylethanesulfonamide

C5H13NO2S2 — CID 90339144

IUPAC2-ethylsulfanyl-N-methylethanesulfonamide
SMILESCCSCCS(=O)(=O)NC
InChIInChI=1S/C5H13NO2S2/c1-3-9-4-5-10(7,8)6-2/h6H,3-5H2,1-2H3
InChIKeyGQLJXRURMURIEO-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.29
Rot. Bonds5

About 2-ethylsulfanyl-N-methylethanesulfonamide

2-ethylsulfanyl-N-methylethanesulfonamide (PubChem CID 90339144) has the molecular formula C5H13NO2S2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methylethanesulfonamide
PubChem CID90339144
Molecular FormulaC5H13NO2S2
Molecular Weight183.30 g/mol
Exact Mass183.04
IUPAC Name2-ethylsulfanyl-N-methylethanesulfonamide
SMILESCCSCCS(=O)(=O)NC
InChIInChI=1S/C5H13NO2S2/c1-3-9-4-5-10(7,8)6-2/h6H,3-5H2,1-2H3
InChIKeyGQLJXRURMURIEO-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.29
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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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methylethanesulfonamide?
The IUPAC name of 2-ethylsulfanyl-N-methylethanesulfonamide (CID 90339144) is 2-ethylsulfanyl-N-methylethanesulfonamide.
What is the SMILES notation for 2-ethylsulfanyl-N-methylethanesulfonamide?
The canonical SMILES for 2-ethylsulfanyl-N-methylethanesulfonamide is CCSCCS(=O)(=O)NC.
What is the InChIKey of 2-ethylsulfanyl-N-methylethanesulfonamide?
The InChIKey is GQLJXRURMURIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S2/c1-3-9-4-5-10(7,8)6-2/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methylethanesulfonamide?
2-ethylsulfanyl-N-methylethanesulfonamide has a molecular weight of 183.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methylethanesulfonamide is sourced from PubChem (CID 90339144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).