2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid

C9H10BrNO4S2 — CID 54984067

IUPAC2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H10BrNO4S2/c10-7-3-4-16-9(7)17(14,15)11(5-8(12)13)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyLAIUWUKHXOGFQR-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.75
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid

2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid (PubChem CID 54984067) has the molecular formula C9H10BrNO4S2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid
PubChem CID54984067
Molecular FormulaC9H10BrNO4S2
Molecular Weight340.22 g/mol
Exact Mass338.92
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H10BrNO4S2/c10-7-3-4-16-9(7)17(14,15)11(5-8(12)13)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyLAIUWUKHXOGFQR-UHFFFAOYSA-N
XLogP1.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid (CID 54984067) is 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid is O=C(O)CN(C1CC1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid?
The InChIKey is LAIUWUKHXOGFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4S2/c10-7-3-4-16-9(7)17(14,15)11(5-8(12)13)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid?
2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid has a molecular weight of 340.22 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 54984067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).