5-aminopentane-1-thiol

C5H13NS — CID 19046419

IUPAC5-aminopentane-1-thiol
SMILESNCCCCCS
InChIInChI=1S/C5H13NS/c6-4-2-1-3-5-7/h7H,1-6H2
InChIKeyDXEUCMHRAHWVEF-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.05
Rot. Bonds4

About 5-aminopentane-1-thiol

5-aminopentane-1-thiol (PubChem CID 19046419) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is 5-aminopentane-1-thiol.

Molecular Properties

Compound Name5-aminopentane-1-thiol
PubChem CID19046419
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name5-aminopentane-1-thiol
SMILESNCCCCCS
InChIInChI=1S/C5H13NS/c6-4-2-1-3-5-7/h7H,1-6H2
InChIKeyDXEUCMHRAHWVEF-UHFFFAOYSA-N
XLogP1.05
TPSA26.02 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 ≤ 51.05
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'}

Analyze 5-aminopentane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-aminopentane-1-thiol?
The IUPAC name of 5-aminopentane-1-thiol (CID 19046419) is 5-aminopentane-1-thiol.
What is the SMILES notation for 5-aminopentane-1-thiol?
The canonical SMILES for 5-aminopentane-1-thiol is NCCCCCS.
What is the InChIKey of 5-aminopentane-1-thiol?
The InChIKey is DXEUCMHRAHWVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c6-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 5-aminopentane-1-thiol?
5-aminopentane-1-thiol has a molecular weight of 119.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentane-1-thiol is sourced from PubChem (CID 19046419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).