N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C14H20N2O3S2 — CID 71961606

IUPACN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)C=Cc2cccs2)CC1
InChIInChI=1S/C14H20N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)11-15-14(17)5-4-13-3-2-10-20-13/h2-5,10,12H,6-9,11H2,1H3,(H,15,17)
InChIKeyPIFCXMFOOMJMMP-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.55
Rot. Bonds5

About N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 71961606) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID71961606
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)C=Cc2cccs2)CC1
InChIInChI=1S/C14H20N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)11-15-14(17)5-4-13-3-2-10-20-13/h2-5,10,12H,6-9,11H2,1H3,(H,15,17)
InChIKeyPIFCXMFOOMJMMP-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71961623
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71960810
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
2-methyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111330997
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 111367413
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
methyl 2-hydroxy-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate
CID 103957996
(E)-N-[[5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 45186351

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 71961606) is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide is CS(=O)(=O)N1CCC(CNC(=O)C=Cc2cccs2)CC1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PIFCXMFOOMJMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)11-15-14(17)5-4-13-3-2-10-20-13/h2-5,10,12H,6-9,11H2,1H3,(H,15,17).
What are the key properties of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 328.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71961606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).