3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid

C11H19NO3S — CID 82236433

IUPAC3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid
SMILESCOC1CCN(C2(C(=O)O)CCSC2)CC1
InChIInChI=1S/C11H19NO3S/c1-15-9-2-5-12(6-3-9)11(10(13)14)4-7-16-8-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeySLSNRHPONUQQDD-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.06
Rot. Bonds3

About 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid

3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid (PubChem CID 82236433) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid
PubChem CID82236433
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid
SMILESCOC1CCN(C2(C(=O)O)CCSC2)CC1
InChIInChI=1S/C11H19NO3S/c1-15-9-2-5-12(6-3-9)11(10(13)14)4-7-16-8-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeySLSNRHPONUQQDD-UHFFFAOYSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-1-yl)thiolane-3-carboxylic acid
CID 82235043
[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 103531486
3-(3-oxopiperazin-1-yl)thiolane-3-carboxylic acid
CID 82235032
4-morpholin-4-ylthiane-4-carboxylic acid
CID 61339323
2-(1-aminocyclopentyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 64683977
1-(1,4-diazepan-1-yl)-3-methoxycyclobutane-1-carboxylic acid
CID 106822616
3-(4,5-dimethylimidazol-1-yl)thiolane-3-carboxylic acid
CID 82235801
[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid
CID 66741936
3-(2-oxoazepan-1-yl)thiolane-3-carboxylic acid
CID 82235142
(1-aminocyclopropyl)-[(3R)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 130609691
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498439

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid (CID 82236433) is 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid is COC1CCN(C2(C(=O)O)CCSC2)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid?
The InChIKey is SLSNRHPONUQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-15-9-2-5-12(6-3-9)11(10(13)14)4-7-16-8-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid?
3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid has a molecular weight of 245.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid is sourced from PubChem (CID 82236433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).