N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide

C10H19NO3S2 — CID 177359883

IUPACN-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide
SMILESC=CS(=O)(=O)CCSCCNC(=O)C(C)C
InChIInChI=1S/C10H19NO3S2/c1-4-16(13,14)8-7-15-6-5-11-10(12)9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyNYYDHHPGWKXWJW-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.05
Rot. Bonds8

About N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide

N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide (PubChem CID 177359883) has the molecular formula C10H19NO3S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide
PubChem CID177359883
Molecular FormulaC10H19NO3S2
Molecular Weight265.40 g/mol
Exact Mass265.08
IUPAC NameN-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide
SMILESC=CS(=O)(=O)CCSCCNC(=O)C(C)C
InChIInChI=1S/C10H19NO3S2/c1-4-16(13,14)8-7-15-6-5-11-10(12)9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyNYYDHHPGWKXWJW-UHFFFAOYSA-N
XLogP1.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
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 N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide (CID 177359883) is N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide is C=CS(=O)(=O)CCSCCNC(=O)C(C)C.
What is the InChIKey of N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide?
The InChIKey is NYYDHHPGWKXWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S2/c1-4-16(13,14)8-7-15-6-5-11-10(12)9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12).
What are the key properties of N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide?
N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 177359883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).