3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol

C19H25NO3S2 — CID 56868049

IUPAC3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
SMILESCCS(=O)(=O)c1ccc(-c2cc(O)cc(CCC3CCCCN3)c2)s1
InChIInChI=1S/C19H25NO3S2/c1-2-25(22,23)19-9-8-18(24-19)15-11-14(12-17(21)13-15)6-7-16-5-3-4-10-20-16/h8-9,11-13,16,20-21H,2-7,10H2,1H3
InChIKeyRVYQGFOFTYFGNH-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.99
Rot. Bonds6

About 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol

3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol (PubChem CID 56868049) has the molecular formula C19H25NO3S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol.

Molecular Properties

Compound Name3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
PubChem CID56868049
Molecular FormulaC19H25NO3S2
Molecular Weight379.55 g/mol
Exact Mass379.13
IUPAC Name3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
SMILESCCS(=O)(=O)c1ccc(-c2cc(O)cc(CCC3CCCCN3)c2)s1
InChIInChI=1S/C19H25NO3S2/c1-2-25(22,23)19-9-8-18(24-19)15-11-14(12-17(21)13-15)6-7-16-5-3-4-10-20-16/h8-9,11-13,16,20-21H,2-7,10H2,1H3
InChIKeyRVYQGFOFTYFGNH-UHFFFAOYSA-N
XLogP3.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
CID 56750474
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56880401
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95543072
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 95476511

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol?
The IUPAC name of 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol (CID 56868049) is 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol.
What is the SMILES notation for 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol?
The canonical SMILES for 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol is CCS(=O)(=O)c1ccc(-c2cc(O)cc(CCC3CCCCN3)c2)s1.
What is the InChIKey of 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol?
The InChIKey is RVYQGFOFTYFGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S2/c1-2-25(22,23)19-9-8-18(24-19)15-11-14(12-17(21)13-15)6-7-16-5-3-4-10-20-16/h8-9,11-13,16,20-21H,2-7,10H2,1H3.
What are the key properties of 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol?
3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol has a molecular weight of 379.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol is sourced from PubChem (CID 56868049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).