2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid

C13H16N2O4S2 — CID 106265465

IUPAC2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid
SMILESN#Cc1ccc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)s1
InChIInChI=1S/C13H16N2O4S2/c14-8-10-6-7-11(20-10)21(18,19)15-12(13(16)17)9-4-2-1-3-5-9/h6-7,9,12,15H,1-5H2,(H,16,17)
InChIKeyJOVTYNOZISSUMS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.93
Rot. Bonds5

About 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid

2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid (PubChem CID 106265465) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid
PubChem CID106265465
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid
SMILESN#Cc1ccc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)s1
InChIInChI=1S/C13H16N2O4S2/c14-8-10-6-7-11(20-10)21(18,19)15-12(13(16)17)9-4-2-1-3-5-9/h6-7,9,12,15H,1-5H2,(H,16,17)
InChIKeyJOVTYNOZISSUMS-UHFFFAOYSA-N
XLogP1.93
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid (CID 106265465) is 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid is N#Cc1ccc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)s1.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid?
The InChIKey is JOVTYNOZISSUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c14-8-10-6-7-11(20-10)21(18,19)15-12(13(16)17)9-4-2-1-3-5-9/h6-7,9,12,15H,1-5H2,(H,16,17).
What are the key properties of 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid?
2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid has a molecular weight of 328.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid is sourced from PubChem (CID 106265465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).