thiomorpholin-3-ylmethanamine

C5H12N2S — CID 13487765

IUPACthiomorpholin-3-ylmethanamine
SMILESNCC1CSCCN1
InChIInChI=1S/C5H12N2S/c6-3-5-4-8-2-1-7-5/h5,7H,1-4,6H2
InChIKeyXQQOTDHTMBHKRA-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.35
Rot. Bonds1

About thiomorpholin-3-ylmethanamine

thiomorpholin-3-ylmethanamine (PubChem CID 13487765) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is thiomorpholin-3-ylmethanamine.

Molecular Properties

Compound Namethiomorpholin-3-ylmethanamine
PubChem CID13487765
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Namethiomorpholin-3-ylmethanamine
SMILESNCC1CSCCN1
InChIInChI=1S/C5H12N2S/c6-3-5-4-8-2-1-7-5/h5,7H,1-4,6H2
InChIKeyXQQOTDHTMBHKRA-UHFFFAOYSA-N
XLogP-0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-3-ylmethanamine?
The IUPAC name of thiomorpholin-3-ylmethanamine (CID 13487765) is thiomorpholin-3-ylmethanamine.
What is the SMILES notation for thiomorpholin-3-ylmethanamine?
The canonical SMILES for thiomorpholin-3-ylmethanamine is NCC1CSCCN1.
What is the InChIKey of thiomorpholin-3-ylmethanamine?
The InChIKey is XQQOTDHTMBHKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c6-3-5-4-8-2-1-7-5/h5,7H,1-4,6H2.
What are the key properties of thiomorpholin-3-ylmethanamine?
thiomorpholin-3-ylmethanamine has a molecular weight of 132.23 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-3-ylmethanamine is sourced from PubChem (CID 13487765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).