Ethylene bis mercaptoacetamide

C6H12N2O2S2 — CID 368250

IUPAC2-sulfanyl-N-[2-[(2-sulfanylacetyl)amino]ethyl]acetamide
SMILESC(CNC(=O)CS)NC(=O)CS
InChIInChI=1S/C6H12N2O2S2/c9-5(3-11)7-1-2-8-6(10)4-12/h11-12H,1-4H2,(H,7,9)(H,8,10)
InChIKeySQPIKOWZWIINCK-UHFFFAOYSA-N
MW208.30 g/mol
LogP-0.50
Rot. Bonds5

About Ethylene bis mercaptoacetamide

Ethylene bis mercaptoacetamide (PubChem CID 368250) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-sulfanyl-N-[2-[(2-sulfanylacetyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameEthylene bis mercaptoacetamide
PubChem CID368250
Molecular FormulaC6H12N2O2S2
Molecular Weight208.30 g/mol
Exact Mass208.03
IUPAC Name2-sulfanyl-N-[2-[(2-sulfanylacetyl)amino]ethyl]acetamide
SMILESC(CNC(=O)CS)NC(=O)CS
InChIInChI=1S/C6H12N2O2S2/c9-5(3-11)7-1-2-8-6(10)4-12/h11-12H,1-4H2,(H,7,9)(H,8,10)
InChIKeySQPIKOWZWIINCK-UHFFFAOYSA-N
XLogP-0.50
TPSA60.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity146

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acetylcysteamine
CID 14484
N,N'-(Dithiodiethylene)bisacetamide
CID 12526
N-(2-(3-(2-(Acetylamino)ethyl)trisulfanyl)ethyl)acetamide
CID 334898
2-Sulfanyl-1-[7-(2-sulfanylacetyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone;dihydrochloride
CID 90664923
N-(2-((2-Aminoethyl)disulfanyl)ethyl)acetamide
CID 18381305
N,N'-bis(2-mercaptoethyl)oxamide
CID 274614
2-Azido-N-(2-Sulfanylethyl)ethanamide
CID 49866890
2-Sulfanyl-1-[7-(2-sulfanylacetyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone
CID 45272165
N,N'-Ethylenebis(2-mercaptopropionamide)
CID 522321
1-Thia-4,7,10-triazacyclododecane-3,11-dione
CID 19438557
Acetamidoethane thiol
CID 21320270
N',N'-bis(2-sulfanylethyl)oxamide
CID 53437206

Frequently Asked Questions

What is the IUPAC name of Ethylene bis mercaptoacetamide?
The IUPAC name of Ethylene bis mercaptoacetamide (CID 368250) is 2-sulfanyl-N-[2-[(2-sulfanylacetyl)amino]ethyl]acetamide.
What is the SMILES notation for Ethylene bis mercaptoacetamide?
The canonical SMILES for Ethylene bis mercaptoacetamide is C(CNC(=O)CS)NC(=O)CS.
What is the InChIKey of Ethylene bis mercaptoacetamide?
The InChIKey is SQPIKOWZWIINCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c9-5(3-11)7-1-2-8-6(10)4-12/h11-12H,1-4H2,(H,7,9)(H,8,10).
What are the key properties of Ethylene bis mercaptoacetamide?
Ethylene bis mercaptoacetamide has a molecular weight of 208.30 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethylene bis mercaptoacetamide is sourced from PubChem (CID 368250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).