N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide

C8H16N2O4S2 — CID 23652641

IUPACN-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSS(=O)(=O)CCNC(C)=O
InChIInChI=1S/C8H16N2O4S2/c1-7(11)9-3-5-15-16(13,14)6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyKCMWYSQQAMLXMB-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.68
Rot. Bonds7

About N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide

N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide (PubChem CID 23652641) has the molecular formula C8H16N2O4S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide
PubChem CID23652641
Molecular FormulaC8H16N2O4S2
Molecular Weight268.36 g/mol
Exact Mass268.06
IUPAC NameN-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSS(=O)(=O)CCNC(C)=O
InChIInChI=1S/C8H16N2O4S2/c1-7(11)9-3-5-15-16(13,14)6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyKCMWYSQQAMLXMB-UHFFFAOYSA-N
XLogP-0.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide (CID 23652641) is N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide is CC(=O)NCCSS(=O)(=O)CCNC(C)=O.
What is the InChIKey of N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide?
The InChIKey is KCMWYSQQAMLXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S2/c1-7(11)9-3-5-15-16(13,14)6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide?
N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide has a molecular weight of 268.36 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethylsulfonylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 23652641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).