2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid

C11H15NO6S3 — CID 115284341

IUPAC2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)C1CCS(=O)(=O)CC1)c1cccs1
InChIInChI=1S/C11H15NO6S3/c13-11(14)10(9-2-1-5-19-9)12-21(17,18)8-3-6-20(15,16)7-4-8/h1-2,5,8,10,12H,3-4,6-7H2,(H,13,14)
InChIKeyZVLKGGSCEDKZTQ-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.37
Rot. Bonds5

About 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid

2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid (PubChem CID 115284341) has the molecular formula C11H15NO6S3 and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid
PubChem CID115284341
Molecular FormulaC11H15NO6S3
Molecular Weight353.44 g/mol
Exact Mass353.01
IUPAC Name2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)C1CCS(=O)(=O)CC1)c1cccs1
InChIInChI=1S/C11H15NO6S3/c13-11(14)10(9-2-1-5-19-9)12-21(17,18)8-3-6-20(15,16)7-4-8/h1-2,5,8,10,12H,3-4,6-7H2,(H,13,14)
InChIKeyZVLKGGSCEDKZTQ-UHFFFAOYSA-N
XLogP0.37
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284282
2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284374
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-4-sulfonamide
CID 114296825
2-[(1,1-dioxothian-4-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 62085300
2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284360
2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285319
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide
CID 107861485

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid (CID 115284341) is 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid is O=C(O)C(NS(=O)(=O)C1CCS(=O)(=O)CC1)c1cccs1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is ZVLKGGSCEDKZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S3/c13-11(14)10(9-2-1-5-19-9)12-21(17,18)8-3-6-20(15,16)7-4-8/h1-2,5,8,10,12H,3-4,6-7H2,(H,13,14).
What are the key properties of 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid?
2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 353.44 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).