2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide

C8H14N4O4S — CID 10298431

IUPAC2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)CNC(=O)CNC(=O)CS
InChIInChI=1S/C8H14N4O4S/c9-5(13)1-10-6(14)2-11-7(15)3-12-8(16)4-17/h17H,1-4H2,(H2,9,13)(H,10,14)(H,11,15)(H,12,16)
InChIKeyTUEYTXYSCGDAQX-UHFFFAOYSA-N
MW262.29 g/mol
LogP-3.25
Rot. Bonds7

About 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide

2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide (PubChem CID 10298431) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide
PubChem CID10298431
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)CNC(=O)CNC(=O)CS
InChIInChI=1S/C8H14N4O4S/c9-5(13)1-10-6(14)2-11-7(15)3-12-8(16)4-17/h17H,1-4H2,(H2,9,13)(H,10,14)(H,11,15)(H,12,16)
InChIKeyTUEYTXYSCGDAQX-UHFFFAOYSA-N
XLogP-3.25
TPSA130.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-3.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide (CID 10298431) is 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide is NC(=O)CNC(=O)CNC(=O)CNC(=O)CS.
What is the InChIKey of 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide?
The InChIKey is TUEYTXYSCGDAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c9-5(13)1-10-6(14)2-11-7(15)3-12-8(16)4-17/h17H,1-4H2,(H2,9,13)(H,10,14)(H,11,15)(H,12,16).
What are the key properties of 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide?
2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide has a molecular weight of 262.29 g/mol, XLogP of -3.25, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 10298431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).