3-(2-aminoethylamino)propane-1-thiol

C5H14N2S — CID 20551152

IUPAC3-(2-aminoethylamino)propane-1-thiol
SMILESNCCNCCCS
InChIInChI=1S/C5H14N2S/c6-2-4-7-3-1-5-8/h7-8H,1-6H2
InChIKeySRDUPFGNHSCMPN-UHFFFAOYSA-N
MW134.25 g/mol
LogP-0.15
Rot. Bonds5

About 3-(2-aminoethylamino)propane-1-thiol

3-(2-aminoethylamino)propane-1-thiol (PubChem CID 20551152) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is 3-(2-aminoethylamino)propane-1-thiol.

Molecular Properties

Compound Name3-(2-aminoethylamino)propane-1-thiol
PubChem CID20551152
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name3-(2-aminoethylamino)propane-1-thiol
SMILESNCCNCCCS
InChIInChI=1S/C5H14N2S/c6-2-4-7-3-1-5-8/h7-8H,1-6H2
InChIKeySRDUPFGNHSCMPN-UHFFFAOYSA-N
XLogP-0.15
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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 3-(2-aminoethylamino)propane-1-thiol?
The IUPAC name of 3-(2-aminoethylamino)propane-1-thiol (CID 20551152) is 3-(2-aminoethylamino)propane-1-thiol.
What is the SMILES notation for 3-(2-aminoethylamino)propane-1-thiol?
The canonical SMILES for 3-(2-aminoethylamino)propane-1-thiol is NCCNCCCS.
What is the InChIKey of 3-(2-aminoethylamino)propane-1-thiol?
The InChIKey is SRDUPFGNHSCMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c6-2-4-7-3-1-5-8/h7-8H,1-6H2.
What are the key properties of 3-(2-aminoethylamino)propane-1-thiol?
3-(2-aminoethylamino)propane-1-thiol has a molecular weight of 134.25 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)propane-1-thiol is sourced from PubChem (CID 20551152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).