1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde

C10H19NO3S — CID 63196126

IUPAC1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde
SMILESCS(=O)(=O)CCCN1CCC(C=O)CC1
InChIInChI=1S/C10H19NO3S/c1-15(13,14)8-2-5-11-6-3-10(9-12)4-7-11/h9-10H,2-8H2,1H3
InChIKeyMOUMNBCIJQGPEU-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.33
Rot. Bonds5

About 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde

1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde (PubChem CID 63196126) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde
PubChem CID63196126
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde
SMILESCS(=O)(=O)CCCN1CCC(C=O)CC1
InChIInChI=1S/C10H19NO3S/c1-15(13,14)8-2-5-11-6-3-10(9-12)4-7-11/h9-10H,2-8H2,1H3
InChIKeyMOUMNBCIJQGPEU-UHFFFAOYSA-N
XLogP0.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde (CID 63196126) is 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde is CS(=O)(=O)CCCN1CCC(C=O)CC1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde?
The InChIKey is MOUMNBCIJQGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-15(13,14)8-2-5-11-6-3-10(9-12)4-7-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde?
1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde has a molecular weight of 233.33 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 63196126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).