2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol

C12H19NO3S2 — CID 79612108

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2cccs2)C1
InChIInChI=1S/C12H19NO3S2/c1-18(15,16)13-6-2-4-10(9-13)8-11(14)12-5-3-7-17-12/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3
InChIKeyRRHBPDINIZUGLX-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.84
Rot. Bonds4

About 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol

2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol (PubChem CID 79612108) has the molecular formula C12H19NO3S2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
PubChem CID79612108
Molecular FormulaC12H19NO3S2
Molecular Weight289.42 g/mol
Exact Mass289.08
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2cccs2)C1
InChIInChI=1S/C12H19NO3S2/c1-18(15,16)13-6-2-4-10(9-13)8-11(14)12-5-3-7-17-12/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3
InChIKeyRRHBPDINIZUGLX-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609288
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine
CID 79611861
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
1-(5-ethylfuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79613154
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol (CID 79612108) is 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol is CS(=O)(=O)N1CCCC(CC(O)c2cccs2)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol?
The InChIKey is RRHBPDINIZUGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S2/c1-18(15,16)13-6-2-4-10(9-13)8-11(14)12-5-3-7-17-12/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol?
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol has a molecular weight of 289.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 79612108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).