(3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol

C13H21NO3S — CID 157039786

IUPAC(3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol
SMILESOC[C@H]1CC(O)[C@@H](O)CN1CCCc1ccsc1
InChIInChI=1S/C13H21NO3S/c15-8-11-6-12(16)13(17)7-14(11)4-1-2-10-3-5-18-9-10/h3,5,9,11-13,15-17H,1-2,4,6-8H2/t11-,12?,13+/m1/s1
InChIKeyACEWFCQAEBUEHT-YPHAAILGSA-N
MW271.38 g/mol
LogP0.47
Rot. Bonds5

About (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol

(3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol (PubChem CID 157039786) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol
PubChem CID157039786
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name(3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol
SMILESOC[C@H]1CC(O)[C@@H](O)CN1CCCc1ccsc1
InChIInChI=1S/C13H21NO3S/c15-8-11-6-12(16)13(17)7-14(11)4-1-2-10-3-5-18-9-10/h3,5,9,11-13,15-17H,1-2,4,6-8H2/t11-,12?,13+/m1/s1
InChIKeyACEWFCQAEBUEHT-YPHAAILGSA-N
XLogP0.47
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol?
The IUPAC name of (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol (CID 157039786) is (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol.
What is the SMILES notation for (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol?
The canonical SMILES for (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol is OC[C@H]1CC(O)[C@@H](O)CN1CCCc1ccsc1.
What is the InChIKey of (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol?
The InChIKey is ACEWFCQAEBUEHT-YPHAAILGSA-N. The full InChI is InChI=1S/C13H21NO3S/c15-8-11-6-12(16)13(17)7-14(11)4-1-2-10-3-5-18-9-10/h3,5,9,11-13,15-17H,1-2,4,6-8H2/t11-,12?,13+/m1/s1.
What are the key properties of (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol?
(3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol has a molecular weight of 271.38 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidine-3,4-diol is sourced from PubChem (CID 157039786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).