1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid

C12H16N2O6S — CID 120531056

IUPAC1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCNS(=O)(=O)c1cc(C(=O)NC2(C(=O)O)CCC2)c(C)o1
InChIInChI=1S/C12H16N2O6S/c1-7-8(6-9(20-7)21(18,19)13-2)10(15)14-12(11(16)17)4-3-5-12/h6,13H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySPIXCKMZWUCPEZ-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.23
Rot. Bonds5

About 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 120531056) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID120531056
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCNS(=O)(=O)c1cc(C(=O)NC2(C(=O)O)CCC2)c(C)o1
InChIInChI=1S/C12H16N2O6S/c1-7-8(6-9(20-7)21(18,19)13-2)10(15)14-12(11(16)17)4-3-5-12/h6,13H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySPIXCKMZWUCPEZ-UHFFFAOYSA-N
XLogP0.23
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674746
1-[(2-methyl-5-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 75460812
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81163710
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530812
1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 115910151
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341207
1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 122564246
1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 119350557
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 120531056) is 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid is CNS(=O)(=O)c1cc(C(=O)NC2(C(=O)O)CCC2)c(C)o1.
What is the InChIKey of 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is SPIXCKMZWUCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-7-8(6-9(20-7)21(18,19)13-2)10(15)14-12(11(16)17)4-3-5-12/h6,13H,3-5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120531056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).