(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol

C14H17N3O2S — CID 95857196

IUPAC(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2ccc(Sc3ncccn3)o2)C1
InChIInChI=1S/C14H17N3O2S/c18-11-3-1-8-17(9-11)10-12-4-5-13(19-12)20-14-15-6-2-7-16-14/h2,4-7,11,18H,1,3,8-10H2/t11-/m1/s1
InChIKeyNOYUCLORMBMNJA-LLVKDONJSA-N
MW291.38 g/mol
LogP2.18
Rot. Bonds4

About (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol

(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol (PubChem CID 95857196) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol
PubChem CID95857196
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2ccc(Sc3ncccn3)o2)C1
InChIInChI=1S/C14H17N3O2S/c18-11-3-1-8-17(9-11)10-12-4-5-13(19-12)20-14-15-6-2-7-16-14/h2,4-7,11,18H,1,3,8-10H2/t11-/m1/s1
InChIKeyNOYUCLORMBMNJA-LLVKDONJSA-N
XLogP2.18
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
CID 82398962
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-ol
CID 7443091
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62893702
1-[(6-amino-3-pyridinyl)methyl]piperidin-3-ol
CID 62207915
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 167916543
1-[(3-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 71649793
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669569

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol (CID 95857196) is (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol is O[C@@H]1CCCN(Cc2ccc(Sc3ncccn3)o2)C1.
What is the InChIKey of (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol?
The InChIKey is NOYUCLORMBMNJA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-11-3-1-8-17(9-11)10-12-4-5-13(19-12)20-14-15-6-2-7-16-14/h2,4-7,11,18H,1,3,8-10H2/t11-/m1/s1.
What are the key properties of (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol?
(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol has a molecular weight of 291.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 95857196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).