2-ethylthiomorpholine-4-carbaldehyde

C7H13NOS — CID 19848473

IUPAC2-ethylthiomorpholine-4-carbaldehyde
SMILESCCC1CN(C=O)CCS1
InChIInChI=1S/C7H13NOS/c1-2-7-5-8(6-9)3-4-10-7/h6-7H,2-5H2,1H3
InChIKeyAXEDGKLMANSSBD-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.97
Rot. Bonds2

About 2-ethylthiomorpholine-4-carbaldehyde

2-ethylthiomorpholine-4-carbaldehyde (PubChem CID 19848473) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-ethylthiomorpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-ethylthiomorpholine-4-carbaldehyde
PubChem CID19848473
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-ethylthiomorpholine-4-carbaldehyde
SMILESCCC1CN(C=O)CCS1
InChIInChI=1S/C7H13NOS/c1-2-7-5-8(6-9)3-4-10-7/h6-7H,2-5H2,1H3
InChIKeyAXEDGKLMANSSBD-UHFFFAOYSA-N
XLogP0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.97
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-ethylthiomorpholine-4-carbaldehyde?
The IUPAC name of 2-ethylthiomorpholine-4-carbaldehyde (CID 19848473) is 2-ethylthiomorpholine-4-carbaldehyde.
What is the SMILES notation for 2-ethylthiomorpholine-4-carbaldehyde?
The canonical SMILES for 2-ethylthiomorpholine-4-carbaldehyde is CCC1CN(C=O)CCS1.
What is the InChIKey of 2-ethylthiomorpholine-4-carbaldehyde?
The InChIKey is AXEDGKLMANSSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-7-5-8(6-9)3-4-10-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-ethylthiomorpholine-4-carbaldehyde?
2-ethylthiomorpholine-4-carbaldehyde has a molecular weight of 159.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiomorpholine-4-carbaldehyde is sourced from PubChem (CID 19848473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).