2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid

C10H15NO4S2 — CID 115284360

IUPAC2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
SMILESCCCCS(=O)(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H15NO4S2/c1-2-3-7-17(14,15)11-9(10(12)13)8-5-4-6-16-8/h4-6,9,11H,2-3,7H2,1H3,(H,12,13)
InChIKeyWEJJHKREHCSQKI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.59
Rot. Bonds7

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

2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115284360) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
PubChem CID115284360
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
SMILESCCCCS(=O)(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H15NO4S2/c1-2-3-7-17(14,15)11-9(10(12)13)8-5-4-6-16-8/h4-6,9,11H,2-3,7H2,1H3,(H,12,13)
InChIKeyWEJJHKREHCSQKI-UHFFFAOYSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid
CID 115283908
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284374
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757
2-(pentylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 113278870
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
CID 102676201
4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 106053458
2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284282
2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid (CID 115284360) is 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid is CCCCS(=O)(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is WEJJHKREHCSQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-2-3-7-17(14,15)11-9(10(12)13)8-5-4-6-16-8/h4-6,9,11H,2-3,7H2,1H3,(H,12,13).
What are the key properties of 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid?
2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 277.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).