3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid

C12H17NO5S2 — CID 63877371

IUPAC3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid
SMILESO=C(O)CCOC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H17NO5S2/c14-11(15)5-8-18-10-3-6-13(7-4-10)20(16,17)12-2-1-9-19-12/h1-2,9-10H,3-8H2,(H,14,15)
InChIKeyZHQMMLYZSWFBSK-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.39
Rot. Bonds6

About 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid

3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid (PubChem CID 63877371) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid
PubChem CID63877371
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid
SMILESO=C(O)CCOC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H17NO5S2/c14-11(15)5-8-18-10-3-6-13(7-4-10)20(16,17)12-2-1-9-19-12/h1-2,9-10H,3-8H2,(H,14,15)
InChIKeyZHQMMLYZSWFBSK-UHFFFAOYSA-N
XLogP1.39
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid
CID 65065534
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
4-thiophen-3-yloxy-1-thiophen-2-ylsulfonylpiperidine
CID 122246250
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-thiophen-2-ylsulfonylpiperidin-3-yl]propanoic acid
CID 133126956
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol
CID 60924806
2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol
CID 141034176
1-thiophen-2-ylsulfonylpiperidine
CID 765823

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid?
The IUPAC name of 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid (CID 63877371) is 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid.
What is the SMILES notation for 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid?
The canonical SMILES for 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid is O=C(O)CCOC1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid?
The InChIKey is ZHQMMLYZSWFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c14-11(15)5-8-18-10-3-6-13(7-4-10)20(16,17)12-2-1-9-19-12/h1-2,9-10H,3-8H2,(H,14,15).
What are the key properties of 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid?
3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid has a molecular weight of 319.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid is sourced from PubChem (CID 63877371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).