3-(ethylamino)propane-1-thiol

C5H13NS — CID 12634512

IUPAC3-(ethylamino)propane-1-thiol
SMILESCCNCCCS
InChIInChI=1S/C5H13NS/c1-2-6-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyRLSLASWLXOEEBZ-UHFFFAOYSA-N
MW119.23 g/mol
LogP0.92
Rot. Bonds4

About 3-(ethylamino)propane-1-thiol

3-(ethylamino)propane-1-thiol (PubChem CID 12634512) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is 3-(ethylamino)propane-1-thiol.

Molecular Properties

Compound Name3-(ethylamino)propane-1-thiol
PubChem CID12634512
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name3-(ethylamino)propane-1-thiol
SMILESCCNCCCS
InChIInChI=1S/C5H13NS/c1-2-6-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyRLSLASWLXOEEBZ-UHFFFAOYSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(ethylamino)propane-1-thiol?
The IUPAC name of 3-(ethylamino)propane-1-thiol (CID 12634512) is 3-(ethylamino)propane-1-thiol.
What is the SMILES notation for 3-(ethylamino)propane-1-thiol?
The canonical SMILES for 3-(ethylamino)propane-1-thiol is CCNCCCS.
What is the InChIKey of 3-(ethylamino)propane-1-thiol?
The InChIKey is RLSLASWLXOEEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-2-6-4-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 3-(ethylamino)propane-1-thiol?
3-(ethylamino)propane-1-thiol has a molecular weight of 119.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propane-1-thiol is sourced from PubChem (CID 12634512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).