2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid

C10H14N2O4S2 — CID 105360892

IUPAC2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNS(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C10H14N2O4S2/c13-10(14)8-6-17-9(12-8)5-11-18(15,16)7-3-1-2-4-7/h6-7,11H,1-5H2,(H,13,14)
InChIKeyQOKPRRJMLQQYDE-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.20
Rot. Bonds5

About 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid

2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 105360892) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID105360892
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNS(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C10H14N2O4S2/c13-10(14)8-6-17-9(12-8)5-11-18(15,16)7-3-1-2-4-7/h6-7,11H,1-5H2,(H,13,14)
InChIKeyQOKPRRJMLQQYDE-UHFFFAOYSA-N
XLogP1.20
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 105360892) is 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNS(=O)(=O)C2CCCC2)n1.
What is the InChIKey of 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QOKPRRJMLQQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c13-10(14)8-6-17-9(12-8)5-11-18(15,16)7-3-1-2-4-7/h6-7,11H,1-5H2,(H,13,14).
What are the key properties of 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 105360892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).