6-(propylamino)hexane-1-thiol

C9H21NS — CID 170060999

IUPAC6-(propylamino)hexane-1-thiol
SMILESCCCNCCCCCCS
InChIInChI=1S/C9H21NS/c1-2-7-10-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3
InChIKeyZRNRLLSRELRGKU-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.48
Rot. Bonds8

About 6-(propylamino)hexane-1-thiol

6-(propylamino)hexane-1-thiol (PubChem CID 170060999) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 6-(propylamino)hexane-1-thiol.

Molecular Properties

Compound Name6-(propylamino)hexane-1-thiol
PubChem CID170060999
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name6-(propylamino)hexane-1-thiol
SMILESCCCNCCCCCCS
InChIInChI=1S/C9H21NS/c1-2-7-10-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3
InChIKeyZRNRLLSRELRGKU-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.48
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 6-(propylamino)hexane-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

Related Compounds

N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-propylhexadecan-1-amine
CID 18792182
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-propyldodecan-1-amine;hydrate
CID 175137397
azane;N-propyltetradecan-1-amine
CID 18792183
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
12-iodo-N-propyldodecan-1-amine
CID 166998294
5-(3-aminopropylamino)pentane-1-thiol
CID 71726582
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)hexane-1-thiol?
The IUPAC name of 6-(propylamino)hexane-1-thiol (CID 170060999) is 6-(propylamino)hexane-1-thiol.
What is the SMILES notation for 6-(propylamino)hexane-1-thiol?
The canonical SMILES for 6-(propylamino)hexane-1-thiol is CCCNCCCCCCS.
What is the InChIKey of 6-(propylamino)hexane-1-thiol?
The InChIKey is ZRNRLLSRELRGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-2-7-10-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3.
What are the key properties of 6-(propylamino)hexane-1-thiol?
6-(propylamino)hexane-1-thiol has a molecular weight of 175.34 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)hexane-1-thiol is sourced from PubChem (CID 170060999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).