1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde

C11H18N2O2S — CID 90846705

IUPAC1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1C(=O)N1CCSCC1
InChIInChI=1S/C11H18N2O2S/c14-9-10-3-1-2-4-13(10)11(15)12-5-7-16-8-6-12/h9-10H,1-8H2
InChIKeyVIAXUNFHEKVLJZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.21
Rot. Bonds1

About 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde

1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde (PubChem CID 90846705) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde
PubChem CID90846705
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1C(=O)N1CCSCC1
InChIInChI=1S/C11H18N2O2S/c14-9-10-3-1-2-4-13(10)11(15)12-5-7-16-8-6-12/h9-10H,1-8H2
InChIKeyVIAXUNFHEKVLJZ-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid
CID 68756695
[1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide
CID 126835128
1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde
CID 146358075
azepan-1-yl(thiomorpholin-4-yl)methanone
CID 116654024
1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61423276
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 22880971
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
1-hydroxypiperidine-2-carbaldehyde
CID 173140570
2-[4-(azepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445684
2-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383102

Frequently Asked Questions

What is the IUPAC name of 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde (CID 90846705) is 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde is O=CC1CCCCN1C(=O)N1CCSCC1.
What is the InChIKey of 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde?
The InChIKey is VIAXUNFHEKVLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c14-9-10-3-1-2-4-13(10)11(15)12-5-7-16-8-6-12/h9-10H,1-8H2.
What are the key properties of 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde?
1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde has a molecular weight of 242.34 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 90846705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).