2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid

C13H17NO5S — CID 138056799

IUPAC2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid
SMILESCC(C1CC1)N(C1CC1)S(=O)(=O)c1occc1C(=O)O
InChIInChI=1S/C13H17NO5S/c1-8(9-2-3-9)14(10-4-5-10)20(17,18)13-11(12(15)16)6-7-19-13/h6-10H,2-5H2,1H3,(H,15,16)
InChIKeyLJKSLAQIDIZRLH-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.93
Rot. Bonds6

About 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid

2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid (PubChem CID 138056799) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid
PubChem CID138056799
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid
SMILESCC(C1CC1)N(C1CC1)S(=O)(=O)c1occc1C(=O)O
InChIInChI=1S/C13H17NO5S/c1-8(9-2-3-9)14(10-4-5-10)20(17,18)13-11(12(15)16)6-7-19-13/h6-10H,2-5H2,1H3,(H,15,16)
InChIKeyLJKSLAQIDIZRLH-UHFFFAOYSA-N
XLogP1.93
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 43569345
N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide
CID 38879150
4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide
CID 42956369
2-sulfofuran-3-carboxylic acid
CID 19603891
N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 42960427
2-[(3,5-dimethylphenyl)-ethylsulfamoyl]furan-3-carboxylic acid
CID 154780386
2-chloro-4-[1-cyclopropylethyl(methyl)sulfamoyl]benzoic acid
CID 104656448
2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid
CID 107432685
N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide
CID 94815272
3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid
CID 80516594
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]furan-3-carboxylic acid
CID 103250212
4-[1-cyclopropylethyl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187636

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid (CID 138056799) is 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid is CC(C1CC1)N(C1CC1)S(=O)(=O)c1occc1C(=O)O.
What is the InChIKey of 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid?
The InChIKey is LJKSLAQIDIZRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-8(9-2-3-9)14(10-4-5-10)20(17,18)13-11(12(15)16)6-7-19-13/h6-10H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid?
2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 138056799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).