4-octyl-N-propylthiolan-3-amine

C15H31NS — CID 83196109

IUPAC4-octyl-N-propylthiolan-3-amine
SMILESCCCCCCCCC1CSCC1NCCC
InChIInChI=1S/C15H31NS/c1-3-5-6-7-8-9-10-14-12-17-13-15(14)16-11-4-2/h14-16H,3-13H2,1-2H3
InChIKeyMQVOUFJLWBDXPE-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.47
Rot. Bonds10

About 4-octyl-N-propylthiolan-3-amine

4-octyl-N-propylthiolan-3-amine (PubChem CID 83196109) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 4-octyl-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-octyl-N-propylthiolan-3-amine
PubChem CID83196109
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name4-octyl-N-propylthiolan-3-amine
SMILESCCCCCCCCC1CSCC1NCCC
InChIInChI=1S/C15H31NS/c1-3-5-6-7-8-9-10-14-12-17-13-15(14)16-11-4-2/h14-16H,3-13H2,1-2H3
InChIKeyMQVOUFJLWBDXPE-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-octyl-N-propylthiolan-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

Related Compounds

4-(3,3-dimethylbutyl)-N-propylthiolan-3-amine
CID 83196626
4-butyl-N-methylthiolan-3-amine
CID 83195974
4-nonylthiolan-3-amine
CID 83196598
3-chloro-4-octylthiolane
CID 83191147
3-hexyl-N-propyloxan-4-amine
CID 106469429
N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 83195896
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine
CID 83192078
4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine
CID 103004607
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627

Frequently Asked Questions

What is the IUPAC name of 4-octyl-N-propylthiolan-3-amine?
The IUPAC name of 4-octyl-N-propylthiolan-3-amine (CID 83196109) is 4-octyl-N-propylthiolan-3-amine.
What is the SMILES notation for 4-octyl-N-propylthiolan-3-amine?
The canonical SMILES for 4-octyl-N-propylthiolan-3-amine is CCCCCCCCC1CSCC1NCCC.
What is the InChIKey of 4-octyl-N-propylthiolan-3-amine?
The InChIKey is MQVOUFJLWBDXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-3-5-6-7-8-9-10-14-12-17-13-15(14)16-11-4-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 4-octyl-N-propylthiolan-3-amine?
4-octyl-N-propylthiolan-3-amine has a molecular weight of 257.49 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-N-propylthiolan-3-amine is sourced from PubChem (CID 83196109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).