2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde

C10H14N2O3S2 — CID 142786107

IUPAC2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESCS(=O)(=O)N1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C10H14N2O3S2/c1-17(14,15)12-4-2-8(3-5-12)10-11-9(6-13)7-16-10/h6-8H,2-5H2,1H3
InChIKeyLAECJOPMAGPSFX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.09
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde

2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 142786107) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID142786107
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESCS(=O)(=O)N1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C10H14N2O3S2/c1-17(14,15)12-4-2-8(3-5-12)10-11-9(6-13)7-16-10/h6-8H,2-5H2,1H3
InChIKeyLAECJOPMAGPSFX-UHFFFAOYSA-N
XLogP1.09
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.09
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 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde (CID 142786107) is 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde is CS(=O)(=O)N1CCC(c2nc(C=O)cs2)CC1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is LAECJOPMAGPSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-17(14,15)12-4-2-8(3-5-12)10-11-9(6-13)7-16-10/h6-8H,2-5H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde?
2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 274.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 142786107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).