5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid

C12H17NO4S2 — CID 114099312

IUPAC5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCCCC1(CNS(=O)(=O)c2cc(C(=O)O)cs2)CC1
InChIInChI=1S/C12H17NO4S2/c1-2-3-12(4-5-12)8-13-19(16,17)10-6-9(7-18-10)11(14)15/h6-7,13H,2-5,8H2,1H3,(H,14,15)
InChIKeyCEYJPMMEUYEUOL-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.30
Rot. Bonds7

About 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid

5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 114099312) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID114099312
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCCCC1(CNS(=O)(=O)c2cc(C(=O)O)cs2)CC1
InChIInChI=1S/C12H17NO4S2/c1-2-3-12(4-5-12)8-13-19(16,17)10-6-9(7-18-10)11(14)15/h6-7,13H,2-5,8H2,1H3,(H,14,15)
InChIKeyCEYJPMMEUYEUOL-UHFFFAOYSA-N
XLogP2.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 105413237
5-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 115282496
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114107620
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272096
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 43498976
5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
CID 106142997
5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
CID 62667746

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid (CID 114099312) is 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid is CCCC1(CNS(=O)(=O)c2cc(C(=O)O)cs2)CC1.
What is the InChIKey of 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is CEYJPMMEUYEUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-2-3-12(4-5-12)8-13-19(16,17)10-6-9(7-18-10)11(14)15/h6-7,13H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid?
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 114099312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).