4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde

C14H20N2O3S — CID 155923732

IUPAC4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(C=O)cc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3
InChIKeyULLUZZQSRUXOKA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.21
Rot. Bonds4

About 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde

4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde (PubChem CID 155923732) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
PubChem CID155923732
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(C=O)cc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3
InChIKeyULLUZZQSRUXOKA-UHFFFAOYSA-N
XLogP1.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.21
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 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde (CID 155923732) is 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde is CN(C)C1CCN(S(=O)(=O)c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde?
The InChIKey is ULLUZZQSRUXOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde?
4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde has a molecular weight of 296.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde is sourced from PubChem (CID 155923732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).