[5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol

C18H23NO2S — CID 50966552

IUPAC[5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol
SMILESCc1ccc(SC2CCN(Cc3ccc(CO)o3)CC2)cc1
InChIInChI=1S/C18H23NO2S/c1-14-2-6-17(7-3-14)22-18-8-10-19(11-9-18)12-15-4-5-16(13-20)21-15/h2-7,18,20H,8-13H2,1H3
InChIKeyNHIHKZHFNWSPDA-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.84
Rot. Bonds5

About [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol

[5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 50966552) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID50966552
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name[5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol
SMILESCc1ccc(SC2CCN(Cc3ccc(CO)o3)CC2)cc1
InChIInChI=1S/C18H23NO2S/c1-14-2-6-17(7-3-14)22-18-8-10-19(11-9-18)12-15-4-5-16(13-20)21-15/h2-7,18,20H,8-13H2,1H3
InChIKeyNHIHKZHFNWSPDA-UHFFFAOYSA-N
XLogP3.84
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol (CID 50966552) is [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol is Cc1ccc(SC2CCN(Cc3ccc(CO)o3)CC2)cc1.
What is the InChIKey of [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is NHIHKZHFNWSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-14-2-6-17(7-3-14)22-18-8-10-19(11-9-18)12-15-4-5-16(13-20)21-15/h2-7,18,20H,8-13H2,1H3.
What are the key properties of [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 317.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 50966552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).