N-pentylthiolan-3-amine

C9H19NS — CID 43177655

IUPACN-pentylthiolan-3-amine
SMILESCCCCCNC1CCSC1
InChIInChI=1S/C9H19NS/c1-2-3-4-6-10-9-5-7-11-8-9/h9-10H,2-8H2,1H3
InChIKeyARLVALGQPASVJW-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.27
Rot. Bonds5

About N-pentylthiolan-3-amine

N-pentylthiolan-3-amine (PubChem CID 43177655) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-pentylthiolan-3-amine.

Molecular Properties

Compound NameN-pentylthiolan-3-amine
PubChem CID43177655
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-pentylthiolan-3-amine
SMILESCCCCCNC1CCSC1
InChIInChI=1S/C9H19NS/c1-2-3-4-6-10-9-5-7-11-8-9/h9-10H,2-8H2,1H3
InChIKeyARLVALGQPASVJW-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pentylthiolan-3-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 N-pentylthiolan-3-amine?
The IUPAC name of N-pentylthiolan-3-amine (CID 43177655) is N-pentylthiolan-3-amine.
What is the SMILES notation for N-pentylthiolan-3-amine?
The canonical SMILES for N-pentylthiolan-3-amine is CCCCCNC1CCSC1.
What is the InChIKey of N-pentylthiolan-3-amine?
The InChIKey is ARLVALGQPASVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-2-3-4-6-10-9-5-7-11-8-9/h9-10H,2-8H2,1H3.
What are the key properties of N-pentylthiolan-3-amine?
N-pentylthiolan-3-amine has a molecular weight of 173.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylthiolan-3-amine is sourced from PubChem (CID 43177655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).