1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone

C19H24N2O3S2 — CID 46458677

IUPAC1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone
SMILESCCC1CCCCN1C(=O)CS(=O)(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H24N2O3S2/c1-2-17-10-6-7-11-21(17)18(22)14-26(23,24)13-16-12-25-19(20-16)15-8-4-3-5-9-15/h3-5,8-9,12,17H,2,6-7,10-11,13-14H2,1H3
InChIKeyPKCABJIUTHDXOH-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.52
Rot. Bonds6

About 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone

1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone (PubChem CID 46458677) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone
PubChem CID46458677
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone
SMILESCCC1CCCCN1C(=O)CS(=O)(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H24N2O3S2/c1-2-17-10-6-7-11-21(17)18(22)14-26(23,24)13-16-12-25-19(20-16)15-8-4-3-5-9-15/h3-5,8-9,12,17H,2,6-7,10-11,13-14H2,1H3
InChIKeyPKCABJIUTHDXOH-UHFFFAOYSA-N
XLogP3.52
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(pyrimidin-2-ylmethylsulfonyl)ethanone
CID 167772224
1-(2-ethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylsulfonyl]ethanone
CID 86989421
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide
CID 55595981
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824278
1-(2-ethylpiperidin-1-yl)-2-quinolin-2-ylsulfonylethanone
CID 51119073
1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 43996948
2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 82032241
2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 43958345
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 71685067
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonyl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 51946955
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone (CID 46458677) is 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone is CCC1CCCCN1C(=O)CS(=O)(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone?
The InChIKey is PKCABJIUTHDXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-2-17-10-6-7-11-21(17)18(22)14-26(23,24)13-16-12-25-19(20-16)15-8-4-3-5-9-15/h3-5,8-9,12,17H,2,6-7,10-11,13-14H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone?
1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone has a molecular weight of 392.55 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone is sourced from PubChem (CID 46458677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).