N-methyl-1-thiomorpholin-3-ylethanamine

C7H16N2S — CID 23090462

IUPACN-methyl-1-thiomorpholin-3-ylethanamine
SMILESCNC(C)C1CSCCN1
InChIInChI=1S/C7H16N2S/c1-6(8-2)7-5-10-4-3-9-7/h6-9H,3-5H2,1-2H3
InChIKeyUDKZCRSOKRFYOJ-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.30
Rot. Bonds2

About N-methyl-1-thiomorpholin-3-ylethanamine

N-methyl-1-thiomorpholin-3-ylethanamine (PubChem CID 23090462) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N-methyl-1-thiomorpholin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-thiomorpholin-3-ylethanamine
PubChem CID23090462
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN-methyl-1-thiomorpholin-3-ylethanamine
SMILESCNC(C)C1CSCCN1
InChIInChI=1S/C7H16N2S/c1-6(8-2)7-5-10-4-3-9-7/h6-9H,3-5H2,1-2H3
InChIKeyUDKZCRSOKRFYOJ-UHFFFAOYSA-N
XLogP0.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-thiomorpholin-3-ylethanamine 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-methyl-1-thiomorpholin-3-ylethanamine?
The IUPAC name of N-methyl-1-thiomorpholin-3-ylethanamine (CID 23090462) is N-methyl-1-thiomorpholin-3-ylethanamine.
What is the SMILES notation for N-methyl-1-thiomorpholin-3-ylethanamine?
The canonical SMILES for N-methyl-1-thiomorpholin-3-ylethanamine is CNC(C)C1CSCCN1.
What is the InChIKey of N-methyl-1-thiomorpholin-3-ylethanamine?
The InChIKey is UDKZCRSOKRFYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-6(8-2)7-5-10-4-3-9-7/h6-9H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-thiomorpholin-3-ylethanamine?
N-methyl-1-thiomorpholin-3-ylethanamine has a molecular weight of 160.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiomorpholin-3-ylethanamine is sourced from PubChem (CID 23090462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).