N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide

C6H13NOS2 — CID 126990968

IUPACN-ethyl-N-methyl-2-(methyldisulfanyl)acetamide
SMILESCCN(C)C(=O)CSSC
InChIInChI=1S/C6H13NOS2/c1-4-7(2)6(8)5-10-9-3/h4-5H2,1-3H3
InChIKeyVKQMEQLWFRKVPB-UHFFFAOYSA-N
MW179.31 g/mol
LogP1.48
Rot. Bonds4

About N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide

N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide (PubChem CID 126990968) has the molecular formula C6H13NOS2 and a molecular weight of 179.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(methyldisulfanyl)acetamide
PubChem CID126990968
Molecular FormulaC6H13NOS2
Molecular Weight179.31 g/mol
Exact Mass179.04
IUPAC NameN-ethyl-N-methyl-2-(methyldisulfanyl)acetamide
SMILESCCN(C)C(=O)CSSC
InChIInChI=1S/C6H13NOS2/c1-4-7(2)6(8)5-10-9-3/h4-5H2,1-3H3
InChIKeyVKQMEQLWFRKVPB-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide?
The IUPAC name of N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide (CID 126990968) is N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide is CCN(C)C(=O)CSSC.
What is the InChIKey of N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide?
The InChIKey is VKQMEQLWFRKVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS2/c1-4-7(2)6(8)5-10-9-3/h4-5H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide?
N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide has a molecular weight of 179.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide is sourced from PubChem (CID 126990968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).