[5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine

C13H27N3S — CID 79950587

IUPAC[5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(C)C(C)(C)C2)CS1
InChIInChI=1S/C13H27N3S/c1-11-7-13(8-14,10-17-11)16-6-5-15(4)12(2,3)9-16/h11H,5-10,14H2,1-4H3
InChIKeyLEAUTOGPXLUPBU-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.24
Rot. Bonds2

About [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine

[5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine (PubChem CID 79950587) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine
PubChem CID79950587
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name[5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(C)C(C)(C)C2)CS1
InChIInChI=1S/C13H27N3S/c1-11-7-13(8-14,10-17-11)16-6-5-15(4)12(2,3)9-16/h11H,5-10,14H2,1-4H3
InChIKeyLEAUTOGPXLUPBU-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine 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-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine (CID 79950587) is [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine is CC1CC(CN)(N2CCN(C)C(C)(C)C2)CS1.
What is the InChIKey of [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is LEAUTOGPXLUPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-11-7-13(8-14,10-17-11)16-6-5-15(4)12(2,3)9-16/h11H,5-10,14H2,1-4H3.
What are the key properties of [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine?
[5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 257.45 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(3,3,4-trimethylpiperazin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 79950587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).