N,N-dimethyl-2-methylsulfanylsulfonylacetamide

C5H11NO3S2 — CID 58102287

IUPACN,N-dimethyl-2-methylsulfanylsulfonylacetamide
SMILESCSS(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C5H11NO3S2/c1-6(2)5(7)4-11(8,9)10-3/h4H2,1-3H3
InChIKeyWWNXRGSREBLMMV-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.23
Rot. Bonds3

About N,N-dimethyl-2-methylsulfanylsulfonylacetamide

N,N-dimethyl-2-methylsulfanylsulfonylacetamide (PubChem CID 58102287) has the molecular formula C5H11NO3S2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanylsulfonylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanylsulfonylacetamide
PubChem CID58102287
Molecular FormulaC5H11NO3S2
Molecular Weight197.28 g/mol
Exact Mass197.02
IUPAC NameN,N-dimethyl-2-methylsulfanylsulfonylacetamide
SMILESCSS(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C5H11NO3S2/c1-6(2)5(7)4-11(8,9)10-3/h4H2,1-3H3
InChIKeyWWNXRGSREBLMMV-UHFFFAOYSA-N
XLogP-0.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanylsulfonylacetamide?
The IUPAC name of N,N-dimethyl-2-methylsulfanylsulfonylacetamide (CID 58102287) is N,N-dimethyl-2-methylsulfanylsulfonylacetamide.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanylsulfonylacetamide?
The canonical SMILES for N,N-dimethyl-2-methylsulfanylsulfonylacetamide is CSS(=O)(=O)CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-methylsulfanylsulfonylacetamide?
The InChIKey is WWNXRGSREBLMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S2/c1-6(2)5(7)4-11(8,9)10-3/h4H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanylsulfonylacetamide?
N,N-dimethyl-2-methylsulfanylsulfonylacetamide has a molecular weight of 197.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanylsulfonylacetamide is sourced from PubChem (CID 58102287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).