2,5,5-trimethylthiomorpholine-4-carbaldehyde

C8H15NOS — CID 19848460

IUPAC2,5,5-trimethylthiomorpholine-4-carbaldehyde
SMILESCC1CN(C=O)C(C)(C)CS1
InChIInChI=1S/C8H15NOS/c1-7-4-9(6-10)8(2,3)5-11-7/h6-7H,4-5H2,1-3H3
InChIKeySWVYJMUOFJFJPP-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.36
Rot. Bonds1

About 2,5,5-trimethylthiomorpholine-4-carbaldehyde

2,5,5-trimethylthiomorpholine-4-carbaldehyde (PubChem CID 19848460) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2,5,5-trimethylthiomorpholine-4-carbaldehyde.

Molecular Properties

Compound Name2,5,5-trimethylthiomorpholine-4-carbaldehyde
PubChem CID19848460
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2,5,5-trimethylthiomorpholine-4-carbaldehyde
SMILESCC1CN(C=O)C(C)(C)CS1
InChIInChI=1S/C8H15NOS/c1-7-4-9(6-10)8(2,3)5-11-7/h6-7H,4-5H2,1-3H3
InChIKeySWVYJMUOFJFJPP-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylthiomorpholine-4-carbaldehyde?
The IUPAC name of 2,5,5-trimethylthiomorpholine-4-carbaldehyde (CID 19848460) is 2,5,5-trimethylthiomorpholine-4-carbaldehyde.
What is the SMILES notation for 2,5,5-trimethylthiomorpholine-4-carbaldehyde?
The canonical SMILES for 2,5,5-trimethylthiomorpholine-4-carbaldehyde is CC1CN(C=O)C(C)(C)CS1.
What is the InChIKey of 2,5,5-trimethylthiomorpholine-4-carbaldehyde?
The InChIKey is SWVYJMUOFJFJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7-4-9(6-10)8(2,3)5-11-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,5,5-trimethylthiomorpholine-4-carbaldehyde?
2,5,5-trimethylthiomorpholine-4-carbaldehyde has a molecular weight of 173.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylthiomorpholine-4-carbaldehyde is sourced from PubChem (CID 19848460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).