3-thiomorpholin-2-ylprop-1-en-2-amine

C7H14N2S — CID 173346815

IUPAC3-thiomorpholin-2-ylprop-1-en-2-amine
SMILESC=C(N)CC1CNCCS1
InChIInChI=1S/C7H14N2S/c1-6(8)4-7-5-9-2-3-10-7/h7,9H,1-5,8H2
InChIKeyLNEXOCRASAHIRN-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.55
Rot. Bonds2

About 3-thiomorpholin-2-ylprop-1-en-2-amine

3-thiomorpholin-2-ylprop-1-en-2-amine (PubChem CID 173346815) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-thiomorpholin-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-thiomorpholin-2-ylprop-1-en-2-amine
PubChem CID173346815
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name3-thiomorpholin-2-ylprop-1-en-2-amine
SMILESC=C(N)CC1CNCCS1
InChIInChI=1S/C7H14N2S/c1-6(8)4-7-5-9-2-3-10-7/h7,9H,1-5,8H2
InChIKeyLNEXOCRASAHIRN-UHFFFAOYSA-N
XLogP0.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-thiomorpholin-2-ylprop-1-en-2-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 3-thiomorpholin-2-ylprop-1-en-2-amine?
The IUPAC name of 3-thiomorpholin-2-ylprop-1-en-2-amine (CID 173346815) is 3-thiomorpholin-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-thiomorpholin-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-thiomorpholin-2-ylprop-1-en-2-amine is C=C(N)CC1CNCCS1.
What is the InChIKey of 3-thiomorpholin-2-ylprop-1-en-2-amine?
The InChIKey is LNEXOCRASAHIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6(8)4-7-5-9-2-3-10-7/h7,9H,1-5,8H2.
What are the key properties of 3-thiomorpholin-2-ylprop-1-en-2-amine?
3-thiomorpholin-2-ylprop-1-en-2-amine has a molecular weight of 158.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-2-ylprop-1-en-2-amine is sourced from PubChem (CID 173346815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).