(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol

C8H17NO3S — CID 154572772

IUPAC(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol
SMILESCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17NO3S/c1-13-3-2-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyZTGUKWHBLOJEPU-NGJRWZKOSA-N
MW207.29 g/mol
LogP-1.21
Rot. Bonds3

About (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol

(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol (PubChem CID 154572772) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol
PubChem CID154572772
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol
SMILESCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17NO3S/c1-13-3-2-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyZTGUKWHBLOJEPU-NGJRWZKOSA-N
XLogP-1.21
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol (CID 154572772) is (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol is CSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol?
The InChIKey is ZTGUKWHBLOJEPU-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13-3-2-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol?
(2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol has a molecular weight of 207.29 g/mol, XLogP of -1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(2-methylsulfanylethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 154572772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).