2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid

C12H14N2O4S2 — CID 106265415

IUPAC2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)O)C2CCCC2)s1
InChIInChI=1S/C12H14N2O4S2/c13-7-10-5-6-12(19-10)20(17,18)14(8-11(15)16)9-3-1-2-4-9/h5-6,9H,1-4,8H2,(H,15,16)
InChIKeyWQPKREKUEVNHHJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.64
Rot. Bonds5

About 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid

2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid (PubChem CID 106265415) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid
PubChem CID106265415
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC Name2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)O)C2CCCC2)s1
InChIInChI=1S/C12H14N2O4S2/c13-7-10-5-6-12(19-10)20(17,18)14(8-11(15)16)9-3-1-2-4-9/h5-6,9H,1-4,8H2,(H,15,16)
InChIKeyWQPKREKUEVNHHJ-UHFFFAOYSA-N
XLogP1.64
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
2-[benzyl-(5-cyanothiophen-2-yl)sulfonylamino]acetic acid
CID 154734007
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 114166157
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propan-2-ylamino]acetate
CID 106267874
5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
CID 106267859
2-[cyclopentyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 60829977
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide
CID 60539815
5-cyano-N-(cyclopentylmethyl)thiophene-2-sulfonamide
CID 106267298
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate
CID 106267875

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid (CID 106265415) is 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid is N#Cc1ccc(S(=O)(=O)N(CC(=O)O)C2CCCC2)s1.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid?
The InChIKey is WQPKREKUEVNHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c13-7-10-5-6-12(19-10)20(17,18)14(8-11(15)16)9-3-1-2-4-9/h5-6,9H,1-4,8H2,(H,15,16).
What are the key properties of 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid?
2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid has a molecular weight of 314.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 106265415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).