[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine

C14H27N3S — CID 79949642

IUPAC[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCC3CCC(C2)N3C)CS1
InChIInChI=1S/C14H27N3S/c1-11-7-14(9-15,10-18-11)17-6-5-12-3-4-13(8-17)16(12)2/h11-13H,3-10,15H2,1-2H3
InChIKeyAKFFDTPPWHAQBQ-UHFFFAOYSA-N
MW269.46 g/mol
LogP1.38
Rot. Bonds2

About [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine

[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine (PubChem CID 79949642) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
PubChem CID79949642
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCC3CCC(C2)N3C)CS1
InChIInChI=1S/C14H27N3S/c1-11-7-14(9-15,10-18-11)17-6-5-12-3-4-13(8-17)16(12)2/h11-13H,3-10,15H2,1-2H3
InChIKeyAKFFDTPPWHAQBQ-UHFFFAOYSA-N
XLogP1.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-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-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine?
The IUPAC name of [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine (CID 79949642) is [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine is CC1CC(CN)(N2CCC3CCC(C2)N3C)CS1.
What is the InChIKey of [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine?
The InChIKey is AKFFDTPPWHAQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-11-7-14(9-15,10-18-11)17-6-5-12-3-4-13(8-17)16(12)2/h11-13H,3-10,15H2,1-2H3.
What are the key properties of [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine?
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine has a molecular weight of 269.46 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 79949642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).