2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid

C13H17NO3S2 — CID 78980678

IUPAC2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CSc2cccs2)CC1
InChIInChI=1S/C13H17NO3S2/c15-11(9-19-13-2-1-7-18-13)14-5-3-10(4-6-14)8-12(16)17/h1-2,7,10H,3-6,8-9H2,(H,16,17)
InChIKeyJRVYQZJNIQZWEX-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.55
Rot. Bonds5

About 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid

2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid (PubChem CID 78980678) has the molecular formula C13H17NO3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
PubChem CID78980678
Molecular FormulaC13H17NO3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CSc2cccs2)CC1
InChIInChI=1S/C13H17NO3S2/c15-11(9-19-13-2-1-7-18-13)14-5-3-10(4-6-14)8-12(16)17/h1-2,7,10H,3-6,8-9H2,(H,16,17)
InChIKeyJRVYQZJNIQZWEX-UHFFFAOYSA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
CID 43427796
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 62372000
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 112627208
2-methyl-1-(2-thiophen-2-ylsulfanylacetyl)pyrrolidine-3-carboxylic acid
CID 79364296
4-ethyl-1-(2-thiophen-2-ylsulfanylacetyl)piperidine-4-carboxylic acid
CID 63125405
2-[1-(2-thiophen-2-ylsulfanylacetyl)azetidin-3-yl]propanoic acid
CID 116681177
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 63308244
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 30885271
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79606463
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid (CID 78980678) is 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CSc2cccs2)CC1.
What is the InChIKey of 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid?
The InChIKey is JRVYQZJNIQZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S2/c15-11(9-19-13-2-1-7-18-13)14-5-3-10(4-6-14)8-12(16)17/h1-2,7,10H,3-6,8-9H2,(H,16,17).
What are the key properties of 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid?
2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid has a molecular weight of 299.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 78980678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).