1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone

C14H21NO3S2 — CID 115784268

IUPAC1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCCc1ccc(C(=O)CC2CCCN(S(C)(=O)=O)C2)s1
InChIInChI=1S/C14H21NO3S2/c1-3-12-6-7-14(19-12)13(16)9-11-5-4-8-15(10-11)20(2,17)18/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyLQNJZCYFINKMDG-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.55
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone

1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone (PubChem CID 115784268) has the molecular formula C14H21NO3S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
PubChem CID115784268
Molecular FormulaC14H21NO3S2
Molecular Weight315.46 g/mol
Exact Mass315.10
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCCc1ccc(C(=O)CC2CCCN(S(C)(=O)=O)C2)s1
InChIInChI=1S/C14H21NO3S2/c1-3-12-6-7-14(19-12)13(16)9-11-5-4-8-15(10-11)20(2,17)18/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyLQNJZCYFINKMDG-UHFFFAOYSA-N
XLogP2.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116548748
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107967700
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-(2-methylsulfanylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 115784266
1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 105116188
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
N-[(5-methylfuran-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79610199
2-(5-chlorothiophen-2-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 106046270
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116585133
1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116562490
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540609

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone (CID 115784268) is 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone is CCc1ccc(C(=O)CC2CCCN(S(C)(=O)=O)C2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The InChIKey is LQNJZCYFINKMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S2/c1-3-12-6-7-14(19-12)13(16)9-11-5-4-8-15(10-11)20(2,17)18/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone has a molecular weight of 315.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone is sourced from PubChem (CID 115784268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).