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

C14H22N2O3S2 — CID 110736265

IUPACN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CCc2cccs2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)11-15-14(17)5-4-13-3-2-10-20-13/h2-3,10,12H,4-9,11H2,1H3,(H,15,17)
InChIKeyFUOCITZHYYBOLU-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.47
Rot. Bonds6

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

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 110736265) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID110736265
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CCc2cccs2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)11-15-14(17)5-4-13-3-2-10-20-13/h2-3,10,12H,4-9,11H2,1H3,(H,15,17)
InChIKeyFUOCITZHYYBOLU-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71961606
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 111367413
N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110710235
N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide
CID 111460498
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
1-(1-methylsulfonylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 36509584
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 110362877
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-methyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111330997

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide (CID 110736265) is N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide is CS(=O)(=O)N1CCC(CNC(=O)CCc2cccs2)CC1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is FUOCITZHYYBOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)11-15-14(17)5-4-13-3-2-10-20-13/h2-3,10,12H,4-9,11H2,1H3,(H,15,17).
What are the key properties of N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide?
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 330.48 g/mol, XLogP of 1.47, 6 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-ylpropanamide is sourced from PubChem (CID 110736265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).