cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C13H18N2O6S — CID 120674746

IUPACcis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c(C)o1
InChIInChI=1S/C13H18N2O6S/c1-7-10(6-11(21-7)22(19,20)14-2)12(16)15-9-4-3-8(5-9)13(17)18/h6,8-9,14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t8-,9+/m0/s1
InChIKeyCEWJEXRDVUOBGV-DTWKUNHWSA-N
MW330.36 g/mol
LogP0.48
Rot. Bonds5

About cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120674746) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120674746
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC Namecis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c(C)o1
InChIInChI=1S/C13H18N2O6S/c1-7-10(6-11(21-7)22(19,20)14-2)12(16)15-9-4-3-8(5-9)13(17)18/h6,8-9,14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t8-,9+/m0/s1
InChIKeyCEWJEXRDVUOBGV-DTWKUNHWSA-N
XLogP0.48
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678188
1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120531056
5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide
CID 71974070
cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678770
N-[2-(ethylamino)ethyl]-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 119507697
3-methyl-2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]butanoic acid
CID 119348380
7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid
CID 119350785
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride
CID 119615923
N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 154740005
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120674746) is cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid is CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c(C)o1.
What is the InChIKey of cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is CEWJEXRDVUOBGV-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H18N2O6S/c1-7-10(6-11(21-7)22(19,20)14-2)12(16)15-9-4-3-8(5-9)13(17)18/h6,8-9,14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120674746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).