N-(2-methylsulfonylsulfanylethyl)acetamide

C5H11NO3S2 — CID 23835387

IUPACN-(2-methylsulfonylsulfanylethyl)acetamide
SMILESCC(=O)NCCSS(C)(=O)=O
InChIInChI=1S/C5H11NO3S2/c1-5(7)6-3-4-10-11(2,8)9/h3-4H2,1-2H3,(H,6,7)
InChIKeyQIZFWGZTFLTMRF-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.18
Rot. Bonds4

About N-(2-methylsulfonylsulfanylethyl)acetamide

N-(2-methylsulfonylsulfanylethyl)acetamide (PubChem CID 23835387) has the molecular formula C5H11NO3S2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2-methylsulfonylsulfanylethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfonylsulfanylethyl)acetamide
PubChem CID23835387
Molecular FormulaC5H11NO3S2
Molecular Weight197.28 g/mol
Exact Mass197.02
IUPAC NameN-(2-methylsulfonylsulfanylethyl)acetamide
SMILESCC(=O)NCCSS(C)(=O)=O
InChIInChI=1S/C5H11NO3S2/c1-5(7)6-3-4-10-11(2,8)9/h3-4H2,1-2H3,(H,6,7)
InChIKeyQIZFWGZTFLTMRF-UHFFFAOYSA-N
XLogP-0.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acamprosate
CID 71158
N-Acetyltaurine
CID 159864
Magnesium, bis(2-(acetylamino)ethanesulfonato-O1,O2)-, (T-4)-
CID 11703161
Magnesium N-acetyl taurate
CID 158655510
Sodium 4-(2-acetamidoethyldithio)butanesulfinate
CID 23662353
N-(2-((4-((2-(Acetylamino)ethylthio)sulfonyl)butyl)sulfonylthio)ethyl)acetamide
CID 253388
3-Acetamidopropane-1-sulfonate
CID 3636249
N-(3-sulfamoylpropyl)acetamide
CID 20459379
N-(2-sulfamoylethyl)acetamide
CID 21989478
N-propanoyltaurine
CID 172407762
N-{2-[(2-aminoethyl)disulfanyl]ethyl}acetamide
CID 18381305
2-Acetamidoethanesulfonate
CID 20521519

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylsulfanylethyl)acetamide?
The IUPAC name of N-(2-methylsulfonylsulfanylethyl)acetamide (CID 23835387) is N-(2-methylsulfonylsulfanylethyl)acetamide.
What is the SMILES notation for N-(2-methylsulfonylsulfanylethyl)acetamide?
The canonical SMILES for N-(2-methylsulfonylsulfanylethyl)acetamide is CC(=O)NCCSS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylsulfanylethyl)acetamide?
The InChIKey is QIZFWGZTFLTMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S2/c1-5(7)6-3-4-10-11(2,8)9/h3-4H2,1-2H3,(H,6,7).
What are the key properties of N-(2-methylsulfonylsulfanylethyl)acetamide?
N-(2-methylsulfonylsulfanylethyl)acetamide has a molecular weight of 197.28 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylsulfanylethyl)acetamide is sourced from PubChem (CID 23835387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).