5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid

C16H15NO5S — CID 91643764

IUPAC5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C16H15NO5S/c1-10-14(8-13(22-10)15(18)19)23(20,21)17-9-16(6-7-16)11-4-2-3-5-12(11)17/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyYPUGCJZBCPVABN-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.53
Rot. Bonds3

About 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid

5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid (PubChem CID 91643764) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid
PubChem CID91643764
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Name5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C16H15NO5S/c1-10-14(8-13(22-10)15(18)19)23(20,21)17-9-16(6-7-16)11-4-2-3-5-12(11)17/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyYPUGCJZBCPVABN-UHFFFAOYSA-N
XLogP2.53
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-5-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylbenzoic acid
CID 126780461
2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
CID 146604362
1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 102449182
5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
CID 62803789
1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540811
1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 56794326
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62805389
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
N-phenyl-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005010
1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540669
4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115358240

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid (CID 91643764) is 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid?
The InChIKey is YPUGCJZBCPVABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-10-14(8-13(22-10)15(18)19)23(20,21)17-9-16(6-7-16)11-4-2-3-5-12(11)17/h2-5,8H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid?
5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid has a molecular weight of 333.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 91643764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).