1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde

C10H12ClNO3S2 — CID 63845902

IUPAC1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
SMILESO=CC1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C10H12ClNO3S2/c11-9-3-4-10(16-9)17(14,15)12-5-1-2-8(6-12)7-13/h3-4,7-8H,1-2,5-6H2
InChIKeySCJVYXYXTITZMV-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.00
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde

1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde (PubChem CID 63845902) has the molecular formula C10H12ClNO3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
PubChem CID63845902
Molecular FormulaC10H12ClNO3S2
Molecular Weight293.80 g/mol
Exact Mass292.99
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
SMILESO=CC1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C10H12ClNO3S2/c11-9-3-4-10(16-9)17(14,15)12-5-1-2-8(6-12)7-13/h3-4,7-8H,1-2,5-6H2
InChIKeySCJVYXYXTITZMV-UHFFFAOYSA-N
XLogP2.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 172905067
1-(benzenesulfonyl)piperidine-3-carbaldehyde
CID 63845737
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63845886
N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 45221142
1-(4-methylphenyl)sulfonylpiperidine-3-carbaldehyde
CID 63846066
1-pyridin-4-ylsulfonylpiperidine-3-carbaldehyde
CID 175817763
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 122258636
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde (CID 63845902) is 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde is O=CC1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde?
The InChIKey is SCJVYXYXTITZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S2/c11-9-3-4-10(16-9)17(14,15)12-5-1-2-8(6-12)7-13/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde?
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde has a molecular weight of 293.80 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde is sourced from PubChem (CID 63845902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).