5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid

C15H15NO2S — CID 114009348

IUPAC5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC2Cc3ccccc3C2)s1
InChIInChI=1S/C15H15NO2S/c17-15(18)14-6-5-13(19-14)9-16-12-7-10-3-1-2-4-11(10)8-12/h1-6,12,16H,7-9H2,(H,17,18)
InChIKeyLYDTYOVWSJJQAN-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.70
Rot. Bonds4

About 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid

5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 114009348) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid
PubChem CID114009348
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC2Cc3ccccc3C2)s1
InChIInChI=1S/C15H15NO2S/c17-15(18)14-6-5-13(19-14)9-16-12-7-10-3-1-2-4-11(10)8-12/h1-6,12,16H,7-9H2,(H,17,18)
InChIKeyLYDTYOVWSJJQAN-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 20890238
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103250865
5-[(3,4-dihydro-2H-chromene-3-carbonylamino)methyl]thiophene-2-carboxylic acid
CID 122111115
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103254766
5-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carboxylic acid
CID 63378241
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 107853799
5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110260
5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248527
5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103242542
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
CID 103238535
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103263988

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid (CID 114009348) is 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNC2Cc3ccccc3C2)s1.
What is the InChIKey of 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is LYDTYOVWSJJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(18)14-6-5-13(19-14)9-16-12-7-10-3-1-2-4-11(10)8-12/h1-6,12,16H,7-9H2,(H,17,18).
What are the key properties of 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid?
5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114009348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).