4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid

C14H19NO4S2 — CID 61072770

IUPAC4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1csc(C(=O)O)c1)C1CC2CCC1C2
InChIInChI=1S/C14H19NO4S2/c1-8(12-5-9-2-3-10(12)4-9)15-21(18,19)11-6-13(14(16)17)20-7-11/h6-10,12,15H,2-5H2,1H3,(H,16,17)
InChIKeyIXFSQYBJLABAMH-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.55
Rot. Bonds5

About 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid

4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61072770) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61072770
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1csc(C(=O)O)c1)C1CC2CCC1C2
InChIInChI=1S/C14H19NO4S2/c1-8(12-5-9-2-3-10(12)4-9)15-21(18,19)11-6-13(14(16)17)20-7-11/h6-10,12,15H,2-5H2,1H3,(H,16,17)
InChIKeyIXFSQYBJLABAMH-UHFFFAOYSA-N
XLogP2.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
3-acetyl-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98348707
3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98348700
4-[[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 129376889
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 43149868
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxybenzenesulfonamide
CID 43100175
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
1-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 22108863

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 61072770) is 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid is CC(NS(=O)(=O)c1csc(C(=O)O)c1)C1CC2CCC1C2.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is IXFSQYBJLABAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-8(12-5-9-2-3-10(12)4-9)15-21(18,19)11-6-13(14(16)17)20-7-11/h6-10,12,15H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61072770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).