3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid

C11H14N2O5S — CID 146102616

IUPAC3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2CC(C(=O)O)C2)cn1
InChIInChI=1S/C11H14N2O5S/c1-18-10-3-2-9(6-12-10)19(16,17)13-8-4-7(5-8)11(14)15/h2-3,6-8,13H,4-5H2,1H3,(H,14,15)
InChIKeyGHEQDWTXLXKKFR-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.23
Rot. Bonds5

About 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid

3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 146102616) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID146102616
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2CC(C(=O)O)C2)cn1
InChIInChI=1S/C11H14N2O5S/c1-18-10-3-2-9(6-12-10)19(16,17)13-8-4-7(5-8)11(14)15/h2-3,6-8,13H,4-5H2,1H3,(H,14,15)
InChIKeyGHEQDWTXLXKKFR-UHFFFAOYSA-N
XLogP0.23
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069805
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509
3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 56863848
2-methoxy-5-methylsulfonylpyridine
CID 13433434
N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 146090983
3-[(2-bromo-4-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138031774
4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 110620835
3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55145962
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid (CID 146102616) is 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid is COc1ccc(S(=O)(=O)NC2CC(C(=O)O)C2)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is GHEQDWTXLXKKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-18-10-3-2-9(6-12-10)19(16,17)13-8-4-7(5-8)11(14)15/h2-3,6-8,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid?
3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 146102616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).