5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde

C19H23NO4S — CID 169334804

IUPAC5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde
SMILESCC(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1-c1ccc(C=O)o1
InChIInChI=1S/C19H23NO4S/c1-14(2)25(22,23)19-9-6-15(20-10-4-3-5-11-20)12-17(19)18-8-7-16(13-21)24-18/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyJNWYCTXKLBPMGN-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.93
Rot. Bonds5

About 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde

5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde (PubChem CID 169334804) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde
PubChem CID169334804
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde
SMILESCC(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1-c1ccc(C=O)o1
InChIInChI=1S/C19H23NO4S/c1-14(2)25(22,23)19-9-6-15(20-10-4-3-5-11-20)12-17(19)18-8-7-16(13-21)24-18/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyJNWYCTXKLBPMGN-UHFFFAOYSA-N
XLogP3.93
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde (CID 169334804) is 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde is CC(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1-c1ccc(C=O)o1.
What is the InChIKey of 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde?
The InChIKey is JNWYCTXKLBPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14(2)25(22,23)19-9-6-15(20-10-4-3-5-11-20)12-17(19)18-8-7-16(13-21)24-18/h6-9,12-14H,3-5,10-11H2,1-2H3.
What are the key properties of 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde?
5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde has a molecular weight of 361.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169334804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).