(2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid

C8H10N2O5S2 — CID 40634872

IUPAC(2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1csc(C(N)=O)c1)C(=O)O
InChIInChI=1S/C8H10N2O5S2/c1-4(8(12)13)10-17(14,15)5-2-6(7(9)11)16-3-5/h2-4,10H,1H3,(H2,9,11)(H,12,13)/t4-/m1/s1
InChIKeyAWWKTCLRPBEGKA-SCSAIBSYSA-N
MW278.31 g/mol
LogP-0.40
Rot. Bonds5

About (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid

(2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid (PubChem CID 40634872) has the molecular formula C8H10N2O5S2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid
PubChem CID40634872
Molecular FormulaC8H10N2O5S2
Molecular Weight278.31 g/mol
Exact Mass278.00
IUPAC Name(2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1csc(C(N)=O)c1)C(=O)O
InChIInChI=1S/C8H10N2O5S2/c1-4(8(12)13)10-17(14,15)5-2-6(7(9)11)16-3-5/h2-4,10H,1H3,(H2,9,11)(H,12,13)/t4-/m1/s1
InChIKeyAWWKTCLRPBEGKA-SCSAIBSYSA-N
XLogP-0.40
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid
CID 6504034
4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073022
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
2-[[5-(ethylcarbamoyl)thiophen-3-yl]sulfonylamino]-3-methylbutanoic acid
CID 6503964
4-(cycloheptylsulfamoyl)thiophene-2-carboxamide
CID 6486058
4-[(4-acetylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6503881
4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 82945758
4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81399028
4-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxamide
CID 6503878
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185920
4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81356153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid (CID 40634872) is (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1csc(C(N)=O)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid?
The InChIKey is AWWKTCLRPBEGKA-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10N2O5S2/c1-4(8(12)13)10-17(14,15)5-2-6(7(9)11)16-3-5/h2-4,10H,1H3,(H2,9,11)(H,12,13)/t4-/m1/s1.
What are the key properties of (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid?
(2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 40634872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).