1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid

C10H13NO5S2 — CID 167805091

IUPAC1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid
SMILESCOc1sccc1S(=O)(=O)N1CCC1(C)C(=O)O
InChIInChI=1S/C10H13NO5S2/c1-10(9(12)13)4-5-11(10)18(14,15)7-3-6-17-8(7)16-2/h3,6H,4-5H2,1-2H3,(H,12,13)
InChIKeyZOBCJRGODPVLNV-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.99
Rot. Bonds4

About 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid

1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid (PubChem CID 167805091) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid
PubChem CID167805091
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid
SMILESCOc1sccc1S(=O)(=O)N1CCC1(C)C(=O)O
InChIInChI=1S/C10H13NO5S2/c1-10(9(12)13)4-5-11(10)18(14,15)7-3-6-17-8(7)16-2/h3,6H,4-5H2,1-2H3,(H,12,13)
InChIKeyZOBCJRGODPVLNV-UHFFFAOYSA-N
XLogP0.99
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid (CID 167805091) is 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid is COc1sccc1S(=O)(=O)N1CCC1(C)C(=O)O.
What is the InChIKey of 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid?
The InChIKey is ZOBCJRGODPVLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-10(9(12)13)4-5-11(10)18(14,15)7-3-6-17-8(7)16-2/h3,6H,4-5H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid?
1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxythiophen-3-yl)sulfonyl-2-methylazetidine-2-carboxylic acid is sourced from PubChem (CID 167805091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).