N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine

C10H21N3OS — CID 83014422

IUPACN-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine
SMILESCC1CC(CN)(NN2CCOCC2)CS1
InChIInChI=1S/C10H21N3OS/c1-9-6-10(7-11,8-15-9)12-13-2-4-14-5-3-13/h9,12H,2-8,11H2,1H3
InChIKeyZMVYIVZAGKFOIL-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.05
Rot. Bonds3

About N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine

N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine (PubChem CID 83014422) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine
PubChem CID83014422
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC NameN-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine
SMILESCC1CC(CN)(NN2CCOCC2)CS1
InChIInChI=1S/C10H21N3OS/c1-9-6-10(7-11,8-15-9)12-13-2-4-14-5-3-13/h9,12H,2-8,11H2,1H3
InChIKeyZMVYIVZAGKFOIL-UHFFFAOYSA-N
XLogP0.05
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-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-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine?
The IUPAC name of N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine (CID 83014422) is N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine is CC1CC(CN)(NN2CCOCC2)CS1.
What is the InChIKey of N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine?
The InChIKey is ZMVYIVZAGKFOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-9-6-10(7-11,8-15-9)12-13-2-4-14-5-3-13/h9,12H,2-8,11H2,1H3.
What are the key properties of N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine?
N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine has a molecular weight of 231.36 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-methylthiolan-3-yl]morpholin-4-amine is sourced from PubChem (CID 83014422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).