N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide

C14H19N3O3S — CID 52938413

IUPACN-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C14H19N3O3S/c1-2-14(18)16-12-3-5-13(6-4-12)21(19,20)17-9-7-11(15)8-10-17/h2-6,11H,1,7-10,15H2,(H,16,18)
InChIKeyBCPIWCZSKQNNLV-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.92
Rot. Bonds4

About N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide

N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide (PubChem CID 52938413) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide
PubChem CID52938413
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C14H19N3O3S/c1-2-14(18)16-12-3-5-13(6-4-12)21(19,20)17-9-7-11(15)8-10-17/h2-6,11H,1,7-10,15H2,(H,16,18)
InChIKeyBCPIWCZSKQNNLV-UHFFFAOYSA-N
XLogP0.92
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidine-4-carboxylate
CID 67192747
N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67194643
benzyl N-[[1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 52939774
N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
CID 89236264
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406241
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406251
benzyl N-[1-[4-(prop-2-enoylamino)phenyl]sulfonylpyrrolidin-3-yl]carbamate
CID 67192617
N-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67196353
N-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 52938044
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide (CID 52938413) is N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide?
The InChIKey is BCPIWCZSKQNNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-14(18)16-12-3-5-13(6-4-12)21(19,20)17-9-7-11(15)8-10-17/h2-6,11H,1,7-10,15H2,(H,16,18).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide?
N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide has a molecular weight of 309.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 52938413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).