N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide

C5H13NO2S3 — CID 155061242

IUPACN-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide
SMILESC=CS(=O)(=O)NS(C)(S)CC
InChIInChI=1S/C5H13NO2S3/c1-4-10(3,9)6-11(7,8)5-2/h5-6,9H,2,4H2,1,3H3
InChIKeyVYBXFNOZEOEKFN-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.26
Rot. Bonds4

About N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide

N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide (PubChem CID 155061242) has the molecular formula C5H13NO2S3 and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide
PubChem CID155061242
Molecular FormulaC5H13NO2S3
Molecular Weight215.36 g/mol
Exact Mass215.01
IUPAC NameN-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide
SMILESC=CS(=O)(=O)NS(C)(S)CC
InChIInChI=1S/C5H13NO2S3/c1-4-10(3,9)6-11(7,8)5-2/h5-6,9H,2,4H2,1,3H3
InChIKeyVYBXFNOZEOEKFN-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide?
The IUPAC name of N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide (CID 155061242) is N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide.
What is the SMILES notation for N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide?
The canonical SMILES for N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide is C=CS(=O)(=O)NS(C)(S)CC.
What is the InChIKey of N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide?
The InChIKey is VYBXFNOZEOEKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S3/c1-4-10(3,9)6-11(7,8)5-2/h5-6,9H,2,4H2,1,3H3.
What are the key properties of N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide?
N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide has a molecular weight of 215.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyl-methyl-sulfanyl-λ4-sulfanyl)ethenesulfonamide is sourced from PubChem (CID 155061242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).