2-(3-piperidin-1-ylthiolan-3-yl)acetic acid

C11H19NO2S — CID 64527014

IUPAC2-(3-piperidin-1-ylthiolan-3-yl)acetic acid
SMILESO=C(O)CC1(N2CCCCC2)CCSC1
InChIInChI=1S/C11H19NO2S/c13-10(14)8-11(4-7-15-9-11)12-5-2-1-3-6-12/h1-9H2,(H,13,14)
InChIKeyISUMIFLCMFVKPI-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.82
Rot. Bonds3

About 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid

2-(3-piperidin-1-ylthiolan-3-yl)acetic acid (PubChem CID 64527014) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-piperidin-1-ylthiolan-3-yl)acetic acid
PubChem CID64527014
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-(3-piperidin-1-ylthiolan-3-yl)acetic acid
SMILESO=C(O)CC1(N2CCCCC2)CCSC1
InChIInChI=1S/C11H19NO2S/c13-10(14)8-11(4-7-15-9-11)12-5-2-1-3-6-12/h1-9H2,(H,13,14)
InChIKeyISUMIFLCMFVKPI-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
ethyl 2-(3-pyrrolidin-1-ylthiolan-3-yl)acetate
CID 64529167
[3-(azepan-1-yl)thiolan-3-yl]methanamine
CID 24710395
3-(azocan-1-yl)thiolane-3-carboxylic acid
CID 82235043
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 103961374
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-[3-(azepan-1-yl)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64527717
2-[4-(azepan-1-yl)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526749
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid?
The IUPAC name of 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid (CID 64527014) is 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid is O=C(O)CC1(N2CCCCC2)CCSC1.
What is the InChIKey of 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid?
The InChIKey is ISUMIFLCMFVKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-10(14)8-11(4-7-15-9-11)12-5-2-1-3-6-12/h1-9H2,(H,13,14).
What are the key properties of 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid?
2-(3-piperidin-1-ylthiolan-3-yl)acetic acid has a molecular weight of 229.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylthiolan-3-yl)acetic acid is sourced from PubChem (CID 64527014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).