1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

C12H18ClNO3S2 — CID 79609288

IUPAC1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2cc(Cl)cs2)C1
InChIInChI=1S/C12H18ClNO3S2/c1-19(16,17)14-4-2-3-9(7-14)5-11(15)12-6-10(13)8-18-12/h6,8-9,11,15H,2-5,7H2,1H3
InChIKeyPBHRBLCMGMBHNT-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.50
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 79609288) has the molecular formula C12H18ClNO3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID79609288
Molecular FormulaC12H18ClNO3S2
Molecular Weight323.87 g/mol
Exact Mass323.04
IUPAC Name1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2cc(Cl)cs2)C1
InChIInChI=1S/C12H18ClNO3S2/c1-19(16,17)14-4-2-3-9(7-14)5-11(15)12-6-10(13)8-18-12/h6,8-9,11,15H,2-5,7H2,1H3
InChIKeyPBHRBLCMGMBHNT-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883
1-(3-bromo-4-chlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115566596
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
1-(4-bromothiophen-2-yl)-N-ethyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610527
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-(5-ethylfuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79613154
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 79609288) is 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)c2cc(Cl)cs2)C1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is PBHRBLCMGMBHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S2/c1-19(16,17)14-4-2-3-9(7-14)5-11(15)12-6-10(13)8-18-12/h6,8-9,11,15H,2-5,7H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 323.87 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 79609288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).