2,2-dimethylthiomorpholine-4-carbaldehyde

C7H13NOS — CID 19848530

IUPAC2,2-dimethylthiomorpholine-4-carbaldehyde
SMILESCC1(C)CN(C=O)CCS1
InChIInChI=1S/C7H13NOS/c1-7(2)5-8(6-9)3-4-10-7/h6H,3-5H2,1-2H3
InChIKeyDIABDGGLDOYMGR-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.97
Rot. Bonds1

About 2,2-dimethylthiomorpholine-4-carbaldehyde

2,2-dimethylthiomorpholine-4-carbaldehyde (PubChem CID 19848530) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2,2-dimethylthiomorpholine-4-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethylthiomorpholine-4-carbaldehyde
PubChem CID19848530
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2,2-dimethylthiomorpholine-4-carbaldehyde
SMILESCC1(C)CN(C=O)CCS1
InChIInChI=1S/C7H13NOS/c1-7(2)5-8(6-9)3-4-10-7/h6H,3-5H2,1-2H3
InChIKeyDIABDGGLDOYMGR-UHFFFAOYSA-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-hydroxy-3-methylpyrrolidine-1-carbaldehyde
CID 103357524
3-fluoro-3-methylpyrrolidine-1-carbaldehyde
CID 143837055
2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
CID 126999480
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130736766
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 107459312
1,3-thiazolidine-3-carbaldehyde;dihydrobromide
CID 141312791
3-(7,7-dimethyl-1,4-thiazepan-4-yl)propanal
CID 107456887
2-bromo-1-(2,2-dimethylthiomorpholin-4-yl)propan-1-one
CID 107905824
2,2-dimethyl-4-propylsulfonylthiomorpholine
CID 115683071
2,2,6,6-tetramethylmorpholine-4-carbaldehyde
CID 102746370
4-(2,2-dimethylthiomorpholin-4-yl)-2-ethylbut-2-enoic acid
CID 104874800
N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide
CID 115695171

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylthiomorpholine-4-carbaldehyde?
The IUPAC name of 2,2-dimethylthiomorpholine-4-carbaldehyde (CID 19848530) is 2,2-dimethylthiomorpholine-4-carbaldehyde.
What is the SMILES notation for 2,2-dimethylthiomorpholine-4-carbaldehyde?
The canonical SMILES for 2,2-dimethylthiomorpholine-4-carbaldehyde is CC1(C)CN(C=O)CCS1.
What is the InChIKey of 2,2-dimethylthiomorpholine-4-carbaldehyde?
The InChIKey is DIABDGGLDOYMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2)5-8(6-9)3-4-10-7/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethylthiomorpholine-4-carbaldehyde?
2,2-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 2,2-dimethylthiomorpholine-4-carbaldehyde is sourced from PubChem (CID 19848530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).