4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid

C11H11NO4S3 — CID 81399028

IUPAC4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1cccs1
InChIInChI=1S/C11H11NO4S3/c1-7(9-3-2-4-17-9)12-19(15,16)8-5-10(11(13)14)18-6-8/h2-7,12H,1H3,(H,13,14)/t7-/m1/s1
InChIKeyLHSZIHHJNXOIFJ-SSDOTTSWSA-N
MW317.41 g/mol
LogP2.55
Rot. Bonds5

About 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid

4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 81399028) has the molecular formula C11H11NO4S3 and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID81399028
Molecular FormulaC11H11NO4S3
Molecular Weight317.41 g/mol
Exact Mass316.99
IUPAC Name4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1cccs1
InChIInChI=1S/C11H11NO4S3/c1-7(9-3-2-4-17-9)12-19(15,16)8-5-10(11(13)14)18-6-8/h2-7,12H,1H3,(H,13,14)/t7-/m1/s1
InChIKeyLHSZIHHJNXOIFJ-SSDOTTSWSA-N
XLogP2.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81356153
2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 81389842
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid
CID 81389151
4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 82945758
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675
4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073022
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
6-amino-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148005
2,5-dimethyl-4-[[(1S)-1-thiophen-2-ylethyl]sulfamoyl]furan-3-carboxylic acid
CID 81391276
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid (CID 81399028) is 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid is C[C@@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1cccs1.
What is the InChIKey of 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is LHSZIHHJNXOIFJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11NO4S3/c1-7(9-3-2-4-17-9)12-19(15,16)8-5-10(11(13)14)18-6-8/h2-7,12H,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 317.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 81399028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).