1-cyclopropylsulfonylpiperidine-4-carbaldehyde

C9H15NO3S — CID 59235706

IUPAC1-cyclopropylsulfonylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H15NO3S/c11-7-8-3-5-10(6-4-8)14(12,13)9-1-2-9/h7-9H,1-6H2
InChIKeyCWRXREDLPOHMMC-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.39
Rot. Bonds3

About 1-cyclopropylsulfonylpiperidine-4-carbaldehyde

1-cyclopropylsulfonylpiperidine-4-carbaldehyde (PubChem CID 59235706) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropylsulfonylpiperidine-4-carbaldehyde
PubChem CID59235706
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name1-cyclopropylsulfonylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H15NO3S/c11-7-8-3-5-10(6-4-8)14(12,13)9-1-2-9/h7-9H,1-6H2
InChIKeyCWRXREDLPOHMMC-UHFFFAOYSA-N
XLogP0.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclopropylsulfonylpiperidine-4-carbaldehyde?
The IUPAC name of 1-cyclopropylsulfonylpiperidine-4-carbaldehyde (CID 59235706) is 1-cyclopropylsulfonylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-cyclopropylsulfonylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-cyclopropylsulfonylpiperidine-4-carbaldehyde is O=CC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonylpiperidine-4-carbaldehyde?
The InChIKey is CWRXREDLPOHMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-7-8-3-5-10(6-4-8)14(12,13)9-1-2-9/h7-9H,1-6H2.
What are the key properties of 1-cyclopropylsulfonylpiperidine-4-carbaldehyde?
1-cyclopropylsulfonylpiperidine-4-carbaldehyde has a molecular weight of 217.29 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpiperidine-4-carbaldehyde is sourced from PubChem (CID 59235706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).