2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid

C9H17NO2S — CID 70284229

IUPAC2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid
SMILESC[C@@H](SCC(=O)O)C1CCCCN1
InChIInChI=1S/C9H17NO2S/c1-7(13-6-9(11)12)8-4-2-3-5-10-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyHHDCGPBUORRDJF-GVHYBUMESA-N
MW203.31 g/mol
LogP1.33
Rot. Bonds4

About 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid

2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid (PubChem CID 70284229) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid
PubChem CID70284229
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid
SMILESC[C@@H](SCC(=O)O)C1CCCCN1
InChIInChI=1S/C9H17NO2S/c1-7(13-6-9(11)12)8-4-2-3-5-10-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyHHDCGPBUORRDJF-GVHYBUMESA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid?
The IUPAC name of 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid (CID 70284229) is 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid?
The canonical SMILES for 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid is C[C@@H](SCC(=O)O)C1CCCCN1.
What is the InChIKey of 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid?
The InChIKey is HHDCGPBUORRDJF-GVHYBUMESA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(13-6-9(11)12)8-4-2-3-5-10-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8?/m1/s1.
What are the key properties of 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid?
2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid has a molecular weight of 203.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid is sourced from PubChem (CID 70284229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).