(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde

C7H13NOS — CID 154158068

IUPAC(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde
SMILESC[C@@H]1CN(C=O)C[C@H](C)S1
InChIInChI=1S/C7H13NOS/c1-6-3-8(5-9)4-7(2)10-6/h5-7H,3-4H2,1-2H3/t6-,7+
InChIKeySYXPLTLMILVKGA-KNVOCYPGSA-N
MW159.25 g/mol
LogP0.97
Rot. Bonds1

About (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde

(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde (PubChem CID 154158068) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde
PubChem CID154158068
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde
SMILESC[C@@H]1CN(C=O)C[C@H](C)S1
InChIInChI=1S/C7H13NOS/c1-6-3-8(5-9)4-7(2)10-6/h5-7H,3-4H2,1-2H3/t6-,7+
InChIKeySYXPLTLMILVKGA-KNVOCYPGSA-N
XLogP0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

3,4,5-trimethylpiperidine-1-carbaldehyde
CID 143533712
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779291
(3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde
CID 164876586
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbaldehyde
CID 91066084
3,5-dimethyl-1,3-diazinane-1-carbaldehyde
CID 171516539
3-methyl-6-propan-2-ylazepane-1-carbaldehyde
CID 174874844
1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 64593407
azetidine-1-carbaldehyde;3-fluoroazetidine-1-carbaldehyde;methanesulfinate
CID 159630213
4-formyl-2,6-dimethylpiperazine-1-carboximidamide
CID 139631126
1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130626316
3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorobenzaldehyde
CID 106529288

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde?
The IUPAC name of (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde (CID 154158068) is (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde.
What is the SMILES notation for (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde?
The canonical SMILES for (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde is C[C@@H]1CN(C=O)C[C@H](C)S1.
What is the InChIKey of (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde?
The InChIKey is SYXPLTLMILVKGA-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H13NOS/c1-6-3-8(5-9)4-7(2)10-6/h5-7H,3-4H2,1-2H3/t6-,7+.
What are the key properties of (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde?
(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde has a molecular weight of 159.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde is sourced from PubChem (CID 154158068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).