(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone

C13H19NO3S2 — CID 99798313

IUPAC(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCCS(=O)(=O)C1CCN(C(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C13H19NO3S2/c1-3-19(16,17)11-6-8-14(9-7-11)13(15)12-5-4-10(2)18-12/h4-5,11H,3,6-9H2,1-2H3
InChIKeyAREYHVFLGUTRLV-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.10
Rot. Bonds3

About (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone

(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 99798313) has the molecular formula C13H19NO3S2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID99798313
Molecular FormulaC13H19NO3S2
Molecular Weight301.43 g/mol
Exact Mass301.08
IUPAC Name(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCCS(=O)(=O)C1CCN(C(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C13H19NO3S2/c1-3-19(16,17)11-6-8-14(9-7-11)13(15)12-5-4-10(2)18-12/h4-5,11H,3,6-9H2,1-2H3
InChIKeyAREYHVFLGUTRLV-UHFFFAOYSA-N
XLogP2.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 47314564
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 136518800
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56824322
[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 79734997
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone
CID 64635420

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone (CID 99798313) is (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone is CCS(=O)(=O)C1CCN(C(=O)c2ccc(C)s2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is AREYHVFLGUTRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S2/c1-3-19(16,17)11-6-8-14(9-7-11)13(15)12-5-4-10(2)18-12/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 301.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 99798313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).