1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid

C9H10BrNO4S2 — CID 81163629

IUPAC1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2sccc2Br)CCC1
InChIInChI=1S/C9H10BrNO4S2/c10-6-2-5-16-7(6)17(14,15)11-9(8(12)13)3-1-4-9/h2,5,11H,1,3-4H2,(H,12,13)
InChIKeyWZAUUBUNVLTLDP-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.80
Rot. Bonds4

About 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid

1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 81163629) has the molecular formula C9H10BrNO4S2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID81163629
Molecular FormulaC9H10BrNO4S2
Molecular Weight340.22 g/mol
Exact Mass338.92
IUPAC Name1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2sccc2Br)CCC1
InChIInChI=1S/C9H10BrNO4S2/c10-6-2-5-16-7(6)17(14,15)11-9(8(12)13)3-1-4-9/h2,5,11H,1,3-4H2,(H,12,13)
InChIKeyWZAUUBUNVLTLDP-UHFFFAOYSA-N
XLogP1.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid (CID 81163629) is 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2sccc2Br)CCC1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is WZAUUBUNVLTLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4S2/c10-6-2-5-16-7(6)17(14,15)11-9(8(12)13)3-1-4-9/h2,5,11H,1,3-4H2,(H,12,13).
What are the key properties of 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid?
1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 340.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).