6-(3H-dithiol-3-yl)hexan-1-amine

C9H17NS2 — CID 171785419

IUPAC6-(3H-dithiol-3-yl)hexan-1-amine
SMILESNCCCCCCC1C=CSS1
InChIInChI=1S/C9H17NS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h6,8-9H,1-5,7,10H2
InChIKeyDROVLTHYFBTIKT-UHFFFAOYSA-N
MW203.38 g/mol
LogP3.17
Rot. Bonds6

About 6-(3H-dithiol-3-yl)hexan-1-amine

6-(3H-dithiol-3-yl)hexan-1-amine (PubChem CID 171785419) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 6-(3H-dithiol-3-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(3H-dithiol-3-yl)hexan-1-amine
PubChem CID171785419
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name6-(3H-dithiol-3-yl)hexan-1-amine
SMILESNCCCCCCC1C=CSS1
InChIInChI=1S/C9H17NS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h6,8-9H,1-5,7,10H2
InChIKeyDROVLTHYFBTIKT-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(3H-dithiol-3-yl)hexan-1-amine 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 6-(3H-dithiol-3-yl)hexan-1-amine?
The IUPAC name of 6-(3H-dithiol-3-yl)hexan-1-amine (CID 171785419) is 6-(3H-dithiol-3-yl)hexan-1-amine.
What is the SMILES notation for 6-(3H-dithiol-3-yl)hexan-1-amine?
The canonical SMILES for 6-(3H-dithiol-3-yl)hexan-1-amine is NCCCCCCC1C=CSS1.
What is the InChIKey of 6-(3H-dithiol-3-yl)hexan-1-amine?
The InChIKey is DROVLTHYFBTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h6,8-9H,1-5,7,10H2.
What are the key properties of 6-(3H-dithiol-3-yl)hexan-1-amine?
6-(3H-dithiol-3-yl)hexan-1-amine has a molecular weight of 203.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-dithiol-3-yl)hexan-1-amine is sourced from PubChem (CID 171785419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).