2-(2-aminoethylamino)ethyl carbamimidothioate

C5H14N4S — CID 3062983

IUPAC2-(2-aminoethylamino)ethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCNCCN
InChIInChI=1S/C5H14N4S/c6-1-2-9-3-4-10-5(7)8/h9H,1-4,6H2,(H3,7,8)
InChIKeyWOJDNWCAVQBJLM-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.84
Rot. Bonds5

About 2-(2-aminoethylamino)ethyl carbamimidothioate

2-(2-aminoethylamino)ethyl carbamimidothioate (PubChem CID 3062983) has the molecular formula C5H14N4S and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethyl carbamimidothioate.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethyl carbamimidothioate
PubChem CID3062983
Molecular FormulaC5H14N4S
Molecular Weight162.26 g/mol
Exact Mass162.09
IUPAC Name2-(2-aminoethylamino)ethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCNCCN
InChIInChI=1S/C5H14N4S/c6-1-2-9-3-4-10-5(7)8/h9H,1-4,6H2,(H3,7,8)
InChIKeyWOJDNWCAVQBJLM-UHFFFAOYSA-N
XLogP-0.84
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethyl carbamimidothioate?
The IUPAC name of 2-(2-aminoethylamino)ethyl carbamimidothioate (CID 3062983) is 2-(2-aminoethylamino)ethyl carbamimidothioate.
What is the SMILES notation for 2-(2-aminoethylamino)ethyl carbamimidothioate?
The canonical SMILES for 2-(2-aminoethylamino)ethyl carbamimidothioate is [H]/N=C(\N)SCCNCCN.
What is the InChIKey of 2-(2-aminoethylamino)ethyl carbamimidothioate?
The InChIKey is WOJDNWCAVQBJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4S/c6-1-2-9-3-4-10-5(7)8/h9H,1-4,6H2,(H3,7,8).
What are the key properties of 2-(2-aminoethylamino)ethyl carbamimidothioate?
2-(2-aminoethylamino)ethyl carbamimidothioate has a molecular weight of 162.26 g/mol, XLogP of -0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethyl carbamimidothioate is sourced from PubChem (CID 3062983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).