5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid

C11H14N2O3S — CID 103250865

IUPAC5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C1CCC(NCc2ccc(C(=O)O)s2)CN1
InChIInChI=1S/C11H14N2O3S/c14-10-4-1-7(5-13-10)12-6-8-2-3-9(17-8)11(15)16/h2-3,7,12H,1,4-6H2,(H,13,14)(H,15,16)
InChIKeyDRAVXOXNWWXSJT-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.81
Rot. Bonds4

About 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid

5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103250865) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103250865
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C1CCC(NCc2ccc(C(=O)O)s2)CN1
InChIInChI=1S/C11H14N2O3S/c14-10-4-1-7(5-13-10)12-6-8-2-3-9(17-8)11(15)16/h2-3,7,12H,1,4-6H2,(H,13,14)(H,15,16)
InChIKeyDRAVXOXNWWXSJT-UHFFFAOYSA-N
XLogP0.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carbonitrile
CID 115675832
5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 114009348
5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63662251
5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
CID 63378448
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate
CID 55246254
4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
CID 106182710
5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 20890238
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103254766
2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
CID 63663722

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid (CID 103250865) is 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid is O=C1CCC(NCc2ccc(C(=O)O)s2)CN1.
What is the InChIKey of 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is DRAVXOXNWWXSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-10-4-1-7(5-13-10)12-6-8-2-3-9(17-8)11(15)16/h2-3,7,12H,1,4-6H2,(H,13,14)(H,15,16).
What are the key properties of 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103250865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).