imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium

C4H9N4OS+ — CID 46943412

IUPACimino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium
SMILESN=[N+]=NCC(=O)NCCS
InChIInChI=1S/C4H8N4OS/c5-8-7-3-4(9)6-1-2-10/h5H,1-3H2,(H-,6,9,10)/p+1
InChIKeyRZWBJFLMBDGRGK-UHFFFAOYSA-O
MW161.21 g/mol
LogP-0.42
Rot. Bonds4

About imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium

imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium (PubChem CID 46943412) has the molecular formula C4H9N4OS+ and a molecular weight of 161.21 g/mol. Its IUPAC name is imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium.

Molecular Properties

Compound Nameimino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium
PubChem CID46943412
Molecular FormulaC4H9N4OS+
Molecular Weight161.21 g/mol
Exact Mass161.05
IUPAC Nameimino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium
SMILESN=[N+]=NCC(=O)NCCS
InChIInChI=1S/C4H8N4OS/c5-8-7-3-4(9)6-1-2-10/h5H,1-3H2,(H-,6,9,10)/p+1
InChIKeyRZWBJFLMBDGRGK-UHFFFAOYSA-O
XLogP-0.42
TPSA79.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Azido-N-(2-Sulfanylethyl)ethanamide
CID 49866890
N-(2-Mercaptoethyl)-2-((2-mercaptoethyl)amino)acetamide
CID 10012874
N-(2-aminoethyl)-2-sulfanylacetamide
CID 522057
2-Amino-N-(2-mercaptoethyl)acetamide
CID 3078308
2-[[2-[[2-[(2-Sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetamide
CID 10298431
2-amino-N-(3-sulfanylpropyl)acetamide
CID 17977440
N-ethyl-2-(2-sulfanylethylamino)acetamide
CID 23177225
2-(methylamino)-N-(2-sulfanylethyl)acetamide
CID 23187564
2-(ethylamino)-N-(2-sulfanylethyl)acetamide
CID 23187649
2-amino-N-(3-azidopropyl)-3-sulfanylpropanamide
CID 53441667
N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide
CID 57161917
2-amino-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]acetamide
CID 60202840

Frequently Asked Questions

What is the IUPAC name of imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium?
The IUPAC name of imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium (CID 46943412) is imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium.
What is the SMILES notation for imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium?
The canonical SMILES for imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium is N=[N+]=NCC(=O)NCCS.
What is the InChIKey of imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium?
The InChIKey is RZWBJFLMBDGRGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8N4OS/c5-8-7-3-4(9)6-1-2-10/h5H,1-3H2,(H-,6,9,10)/p+1.
What are the key properties of imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium?
imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium has a molecular weight of 161.21 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium is sourced from PubChem (CID 46943412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).