3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid

C15H15NO2S — CID 103244644

IUPAC3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CNC1CC1c1ccccc1
InChIInChI=1S/C15H15NO2S/c17-15(18)14-11(6-7-19-14)9-16-13-8-12(13)10-4-2-1-3-5-10/h1-7,12-13,16H,8-9H2,(H,17,18)
InChIKeyXQXDRWYJZBSJSC-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.09
Rot. Bonds5

About 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid

3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103244644) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103244644
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CNC1CC1c1ccccc1
InChIInChI=1S/C15H15NO2S/c17-15(18)14-11(6-7-19-14)9-16-13-8-12(13)10-4-2-1-3-5-10/h1-7,12-13,16H,8-9H2,(H,17,18)
InChIKeyXQXDRWYJZBSJSC-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclohexylamino)methyl]thiophene-2-carboxylic acid
CID 103230831
trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
CID 46869807
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
2-[[(2-phenylcyclopropyl)amino]methyl]furan-3-carboxylic acid
CID 103244631
3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248534
3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 103255615
3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 106190644
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114828
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
3-[[(1,1-dioxothian-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103251408
3-[(3-chloroanilino)methyl]thiophene-2-carboxylic acid
CID 103234194

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid (CID 103244644) is 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1CNC1CC1c1ccccc1.
What is the InChIKey of 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is XQXDRWYJZBSJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(18)14-11(6-7-19-14)9-16-13-8-12(13)10-4-2-1-3-5-10/h1-7,12-13,16H,8-9H2,(H,17,18).
What are the key properties of 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid?
3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103244644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).