ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide

C10H21NO3S2 — CID 178053272

IUPACethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide
SMILESC=CS(=O)(=O)CCSCCNC(C)=O.CC
InChIInChI=1S/C8H15NO3S2.C2H6/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;1-2/h3H,1,4-7H2,2H3,(H,9,10);1-2H3
InChIKeyYCFFCRQGVACRBV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.44
Rot. Bonds7

About ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide

ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide (PubChem CID 178053272) has the molecular formula C10H21NO3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide
PubChem CID178053272
Molecular FormulaC10H21NO3S2
Molecular Weight267.42 g/mol
Exact Mass267.10
IUPAC Nameethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide
SMILESC=CS(=O)(=O)CCSCCNC(C)=O.CC
InChIInChI=1S/C8H15NO3S2.C2H6/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;1-2/h3H,1,4-7H2,2H3,(H,9,10);1-2H3
InChIKeyYCFFCRQGVACRBV-UHFFFAOYSA-N
XLogP1.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.44
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 ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide?
The IUPAC name of ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide (CID 178053272) is ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide?
The canonical SMILES for ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide is C=CS(=O)(=O)CCSCCNC(C)=O.CC.
What is the InChIKey of ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide?
The InChIKey is YCFFCRQGVACRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S2.C2H6/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;1-2/h3H,1,4-7H2,2H3,(H,9,10);1-2H3.
What are the key properties of ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide?
ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 178053272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).