2-(methanesulfonamido)-2-thiophen-2-ylacetic acid

C7H9NO4S2 — CID 79018787

IUPAC2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
SMILESCS(=O)(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C7H9NO4S2/c1-14(11,12)8-6(7(9)10)5-3-2-4-13-5/h2-4,6,8H,1H3,(H,9,10)
InChIKeyLMPGETJIOLVGTM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.42
Rot. Bonds4

About 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid

2-(methanesulfonamido)-2-thiophen-2-ylacetic acid (PubChem CID 79018787) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
PubChem CID79018787
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Name2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
SMILESCS(=O)(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C7H9NO4S2/c1-14(11,12)8-6(7(9)10)5-3-2-4-13-5/h2-4,6,8H,1H3,(H,9,10)
InChIKeyLMPGETJIOLVGTM-UHFFFAOYSA-N
XLogP0.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284360
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329
2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284374
2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284282
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284341
2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911
2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid
CID 115283908
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
CID 115284600

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid (CID 79018787) is 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid is CS(=O)(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid?
The InChIKey is LMPGETJIOLVGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c1-14(11,12)8-6(7(9)10)5-3-2-4-13-5/h2-4,6,8H,1H3,(H,9,10).
What are the key properties of 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid?
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid has a molecular weight of 235.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 79018787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).