2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid

C11H11NO2S2 — CID 61347911

IUPAC2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1cccs1)c1cccs1
InChIInChI=1S/C11H11NO2S2/c13-11(14)10(9-4-2-6-16-9)12-7-8-3-1-5-15-8/h1-6,10,12H,7H2,(H,13,14)
InChIKeyCJACOOOHWFSSHA-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.73
Rot. Bonds5

About 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid

2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid (PubChem CID 61347911) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
PubChem CID61347911
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1cccs1)c1cccs1
InChIInChI=1S/C11H11NO2S2/c13-11(14)10(9-4-2-6-16-9)12-7-8-3-1-5-15-8/h1-6,10,12H,7H2,(H,13,14)
InChIKeyCJACOOOHWFSSHA-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-2-thiophen-2-ylacetic acid
CID 61346757
2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 115380653
2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66156659
2-(4-chloro-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 114843727
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66478987
(2S)-2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 10633991
2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 4120536
3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 20720633
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid?
The IUPAC name of 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid (CID 61347911) is 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid is O=C(O)C(NCc1cccs1)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid?
The InChIKey is CJACOOOHWFSSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c13-11(14)10(9-4-2-6-16-9)12-7-8-3-1-5-15-8/h1-6,10,12H,7H2,(H,13,14).
What are the key properties of 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid?
2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid has a molecular weight of 253.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid is sourced from PubChem (CID 61347911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).