N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide

C16H22N2O3S — CID 166406241

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H22N2O3S/c1-4-16(19)17-14-5-7-15(8-6-14)22(20,21)18-10-12(2)9-13(3)11-18/h4-8,12-13H,1,9-11H2,2-3H3,(H,17,19)
InChIKeyDPBJMMYLMZLJDR-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.48
Rot. Bonds4

About N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide (PubChem CID 166406241) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
PubChem CID166406241
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H22N2O3S/c1-4-16(19)17-14-5-7-15(8-6-14)22(20,21)18-10-12(2)9-13(3)11-18/h4-8,12-13H,1,9-11H2,2-3H3,(H,17,19)
InChIKeyDPBJMMYLMZLJDR-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
(E)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921854
N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 52938413
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406251
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
methyl 1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidine-4-carboxylate
CID 67192747
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 46647395
benzyl 2,6-dimethyl-4-[4-(prop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
CID 52938410
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 9394724
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2449783

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide (CID 166406241) is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide?
The InChIKey is DPBJMMYLMZLJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-16(19)17-14-5-7-15(8-6-14)22(20,21)18-10-12(2)9-13(3)11-18/h4-8,12-13H,1,9-11H2,2-3H3,(H,17,19).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide?
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide has a molecular weight of 322.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 166406241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).