N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide

C7H15NO4S2 — CID 63658127

IUPACN-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide
SMILESCS(=O)(=O)CCSCC(=O)NCCO
InChIInChI=1S/C7H15NO4S2/c1-14(11,12)5-4-13-6-7(10)8-2-3-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyZISYDOMTBQRSLX-UHFFFAOYSA-N
MW241.33 g/mol
LogP-1.13
Rot. Bonds7

About N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide

N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide (PubChem CID 63658127) has the molecular formula C7H15NO4S2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide
PubChem CID63658127
Molecular FormulaC7H15NO4S2
Molecular Weight241.33 g/mol
Exact Mass241.04
IUPAC NameN-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide
SMILESCS(=O)(=O)CCSCC(=O)NCCO
InChIInChI=1S/C7H15NO4S2/c1-14(11,12)5-4-13-6-7(10)8-2-3-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyZISYDOMTBQRSLX-UHFFFAOYSA-N
XLogP-1.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide (CID 63658127) is N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide is CS(=O)(=O)CCSCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide?
The InChIKey is ZISYDOMTBQRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S2/c1-14(11,12)5-4-13-6-7(10)8-2-3-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide?
N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of -1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide is sourced from PubChem (CID 63658127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).