2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide

C6H16N2O2S2 — CID 89353242

IUPAC2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCSCCN
InChIInChI=1S/C6H16N2O2S2/c1-2-8-12(9,10)6-5-11-4-3-7/h8H,2-7H2,1H3
InChIKeyOHDVSEHZYPWNEZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP-0.38
Rot. Bonds7

About 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide

2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide (PubChem CID 89353242) has the molecular formula C6H16N2O2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide
PubChem CID89353242
Molecular FormulaC6H16N2O2S2
Molecular Weight212.34 g/mol
Exact Mass212.07
IUPAC Name2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCSCCN
InChIInChI=1S/C6H16N2O2S2/c1-2-8-12(9,10)6-5-11-4-3-7/h8H,2-7H2,1H3
InChIKeyOHDVSEHZYPWNEZ-UHFFFAOYSA-N
XLogP-0.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
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 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide (CID 89353242) is 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide is CCNS(=O)(=O)CCSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide?
The InChIKey is OHDVSEHZYPWNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S2/c1-2-8-12(9,10)6-5-11-4-3-7/h8H,2-7H2,1H3.
What are the key properties of 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide?
2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide has a molecular weight of 212.34 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide is sourced from PubChem (CID 89353242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).