3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol

C20H27NO4S — CID 57338694

IUPAC3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
SMILESCc1ccc(S(=O)(=O)N2[C@H](CCCO)CCC[C@@H]2c2ccc(C)o2)cc1
InChIInChI=1S/C20H27NO4S/c1-15-8-11-18(12-9-15)26(23,24)21-17(6-4-14-22)5-3-7-19(21)20-13-10-16(2)25-20/h8-13,17,19,22H,3-7,14H2,1-2H3/t17-,19+/m0/s1
InChIKeyWLCUEWPVBCXHLW-PKOBYXMFSA-N
MW377.51 g/mol
LogP3.95
Rot. Bonds6

About 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol

3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol (PubChem CID 57338694) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
PubChem CID57338694
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
SMILESCc1ccc(S(=O)(=O)N2[C@H](CCCO)CCC[C@@H]2c2ccc(C)o2)cc1
InChIInChI=1S/C20H27NO4S/c1-15-8-11-18(12-9-15)26(23,24)21-17(6-4-14-22)5-3-7-19(21)20-13-10-16(2)25-20/h8-13,17,19,22H,3-7,14H2,1-2H3/t17-,19+/m0/s1
InChIKeyWLCUEWPVBCXHLW-PKOBYXMFSA-N
XLogP3.95
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol with MolForge

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Related Compounds

3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 10292985
[(2R,6S)-1-(4-methylphenyl)sulfonyl-6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10919139
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503
2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088
(1S,2R,6S)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.1.0]heptan-2-ol
CID 102032381
4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol
CID 111436491
3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62479579
2-[(2R,3R)-3-ethyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanol
CID 102091018
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
N-(2-hydroxyethyl)-N'-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286174
2-(4-chlorobutyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 22250478

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol (CID 57338694) is 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol is Cc1ccc(S(=O)(=O)N2[C@H](CCCO)CCC[C@@H]2c2ccc(C)o2)cc1.
What is the InChIKey of 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol?
The InChIKey is WLCUEWPVBCXHLW-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-15-8-11-18(12-9-15)26(23,24)21-17(6-4-14-22)5-3-7-19(21)20-13-10-16(2)25-20/h8-13,17,19,22H,3-7,14H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol?
3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol has a molecular weight of 377.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-6-(5-methylfuran-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol is sourced from PubChem (CID 57338694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).