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

C10H21NO3S — CID 57341118

IUPAC(2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol
SMILESCC(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H21NO3S/c1-6(2)15-4-3-7-9(13)10(14)8(12)5-11-7/h6-14H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1
InChIKeyOBXCPOAUASMRSK-IMSYWVGJSA-N
MW235.35 g/mol
LogP-0.43
Rot. Bonds4

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

(2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol (PubChem CID 57341118) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol
PubChem CID57341118
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol
SMILESCC(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H21NO3S/c1-6(2)15-4-3-7-9(13)10(14)8(12)5-11-7/h6-14H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1
InChIKeyOBXCPOAUASMRSK-IMSYWVGJSA-N
XLogP-0.43
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.43
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-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol (CID 57341118) is (2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol is CC(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol?
The InChIKey is OBXCPOAUASMRSK-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-6(2)15-4-3-7-9(13)10(14)8(12)5-11-7/h6-14H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol?
(2R,3S,4S,5R)-2-(2-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol has a molecular weight of 235.35 g/mol, XLogP of -0.43, 4 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-propan-2-ylsulfanylethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 57341118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).