4-methylthiomorpholine;hydrate

C5H13NOS — CID 145293567

IUPAC4-methylthiomorpholine;hydrate
SMILESCN1CCSCC1.O
InChIInChI=1S/C5H11NS.H2O/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H2
InChIKeyANPAKPWHTZPXLI-UHFFFAOYSA-N
MW135.23 g/mol
LogP-0.16
Rot. Bonds

About 4-methylthiomorpholine;hydrate

4-methylthiomorpholine;hydrate (PubChem CID 145293567) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 4-methylthiomorpholine;hydrate.

Molecular Properties

Compound Name4-methylthiomorpholine;hydrate
PubChem CID145293567
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name4-methylthiomorpholine;hydrate
SMILESCN1CCSCC1.O
InChIInChI=1S/C5H11NS.H2O/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H2
InChIKeyANPAKPWHTZPXLI-UHFFFAOYSA-N
XLogP-0.16
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylthiomorpholine;hydrate?
The IUPAC name of 4-methylthiomorpholine;hydrate (CID 145293567) is 4-methylthiomorpholine;hydrate.
What is the SMILES notation for 4-methylthiomorpholine;hydrate?
The canonical SMILES for 4-methylthiomorpholine;hydrate is CN1CCSCC1.O.
What is the InChIKey of 4-methylthiomorpholine;hydrate?
The InChIKey is ANPAKPWHTZPXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.H2O/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H2.
What are the key properties of 4-methylthiomorpholine;hydrate?
4-methylthiomorpholine;hydrate has a molecular weight of 135.23 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiomorpholine;hydrate is sourced from PubChem (CID 145293567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).