1-(2-aminoethylamino)propane-2-thiol

C5H14N2S — CID 20551176

IUPAC1-(2-aminoethylamino)propane-2-thiol
SMILESCC(S)CNCCN
InChIInChI=1S/C5H14N2S/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3
InChIKeyBUZZKWQMBLYMOD-UHFFFAOYSA-N
MW134.25 g/mol
LogP-0.15
Rot. Bonds4

About 1-(2-aminoethylamino)propane-2-thiol

1-(2-aminoethylamino)propane-2-thiol (PubChem CID 20551176) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is 1-(2-aminoethylamino)propane-2-thiol.

Molecular Properties

Compound Name1-(2-aminoethylamino)propane-2-thiol
PubChem CID20551176
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name1-(2-aminoethylamino)propane-2-thiol
SMILESCC(S)CNCCN
InChIInChI=1S/C5H14N2S/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3
InChIKeyBUZZKWQMBLYMOD-UHFFFAOYSA-N
XLogP-0.15
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)propane-2-thiol?
The IUPAC name of 1-(2-aminoethylamino)propane-2-thiol (CID 20551176) is 1-(2-aminoethylamino)propane-2-thiol.
What is the SMILES notation for 1-(2-aminoethylamino)propane-2-thiol?
The canonical SMILES for 1-(2-aminoethylamino)propane-2-thiol is CC(S)CNCCN.
What is the InChIKey of 1-(2-aminoethylamino)propane-2-thiol?
The InChIKey is BUZZKWQMBLYMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 1-(2-aminoethylamino)propane-2-thiol?
1-(2-aminoethylamino)propane-2-thiol has a molecular weight of 134.25 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)propane-2-thiol is sourced from PubChem (CID 20551176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).