1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid

C8H9NO4S2 — CID 25187118

IUPAC1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C8H9NO4S2/c10-8(11)6-4-9(5-6)15(12,13)7-2-1-3-14-7/h1-3,6H,4-5H2,(H,10,11)
InChIKeyIAXZJIFZSDGEDZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.45
Rot. Bonds3

About 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid

1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid (PubChem CID 25187118) has the molecular formula C8H9NO4S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
PubChem CID25187118
Molecular FormulaC8H9NO4S2
Molecular Weight247.30 g/mol
Exact Mass247.00
IUPAC Name1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C8H9NO4S2/c10-8(11)6-4-9(5-6)15(12,13)7-2-1-3-14-7/h1-3,6H,4-5H2,(H,10,11)
InChIKeyIAXZJIFZSDGEDZ-UHFFFAOYSA-N
XLogP0.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
CID 116681724
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 97169349
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
1-thiophen-2-ylsulfonylpiperidine
CID 765823
(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 120766691
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
CID 79311323
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid?
The IUPAC name of 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid (CID 25187118) is 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid?
The canonical SMILES for 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid is O=C(O)C1CN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid?
The InChIKey is IAXZJIFZSDGEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S2/c10-8(11)6-4-9(5-6)15(12,13)7-2-1-3-14-7/h1-3,6H,4-5H2,(H,10,11).
What are the key properties of 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid?
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid is sourced from PubChem (CID 25187118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).