2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid

C7H9NO4S2 — CID 21317356

IUPAC2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid
SMILESCS(=O)(=O)c1csc(C(N)C(=O)O)c1
InChIInChI=1S/C7H9NO4S2/c1-14(11,12)4-2-5(13-3-4)6(8)7(9)10/h2-3,6H,8H2,1H3,(H,9,10)
InChIKeyHSMUYAZUMXPGIJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.24
Rot. Bonds3

About 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid

2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid (PubChem CID 21317356) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid
PubChem CID21317356
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Name2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid
SMILESCS(=O)(=O)c1csc(C(N)C(=O)O)c1
InChIInChI=1S/C7H9NO4S2/c1-14(11,12)4-2-5(13-3-4)6(8)7(9)10/h2-3,6H,8H2,1H3,(H,9,10)
InChIKeyHSMUYAZUMXPGIJ-UHFFFAOYSA-N
XLogP0.24
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid (CID 21317356) is 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid is CS(=O)(=O)c1csc(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid?
The InChIKey is HSMUYAZUMXPGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c1-14(11,12)4-2-5(13-3-4)6(8)7(9)10/h2-3,6H,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid?
2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid has a molecular weight of 235.29 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylsulfonylthiophen-2-yl)acetic acid is sourced from PubChem (CID 21317356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).