2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine

C11H22N2S2 — CID 107132759

IUPAC2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
SMILESCC1CSCCN1C(CN)C1CCSC1
InChIInChI=1S/C11H22N2S2/c1-9-7-15-5-3-13(9)11(6-12)10-2-4-14-8-10/h9-11H,2-8,12H2,1H3
InChIKeyNJOBVYYQTIUMIW-UHFFFAOYSA-N
MW246.44 g/mol
LogP1.50
Rot. Bonds3

About 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine

2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine (PubChem CID 107132759) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
PubChem CID107132759
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC Name2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
SMILESCC1CSCCN1C(CN)C1CCSC1
InChIInChI=1S/C11H22N2S2/c1-9-7-15-5-3-13(9)11(6-12)10-2-4-14-8-10/h9-11H,2-8,12H2,1H3
InChIKeyNJOBVYYQTIUMIW-UHFFFAOYSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine 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

2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine
CID 107132808
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132688
2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132650
2-(3-methylthiomorpholin-4-yl)propan-1-ol
CID 126976001
2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
CID 115380460
2-(thiolan-3-yl)butan-1-amine
CID 82596112
2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine
CID 106114859
2-(2,4-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanamine
CID 62386327
2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine
CID 103152569
2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
CID 79426741
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine (CID 107132759) is 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine is CC1CSCCN1C(CN)C1CCSC1.
What is the InChIKey of 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine?
The InChIKey is NJOBVYYQTIUMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-9-7-15-5-3-13(9)11(6-12)10-2-4-14-8-10/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine?
2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine has a molecular weight of 246.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 107132759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).