3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid

C10H14N2O5S2 — CID 66031162

IUPAC3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C10H14N2O5S2/c1-5-9(18-10(15)11-5)19(16,17)12-7-3-2-6(4-7)8(13)14/h6-7,12H,2-4H2,1H3,(H,11,15)(H,13,14)
InChIKeyJJGKCMRRQWLYED-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.28
Rot. Bonds4

About 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid

3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031162) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66031162
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C10H14N2O5S2/c1-5-9(18-10(15)11-5)19(16,17)12-7-3-2-6(4-7)8(13)14/h6-7,12H,2-4H2,1H3,(H,11,15)(H,13,14)
InChIKeyJJGKCMRRQWLYED-UHFFFAOYSA-N
XLogP0.28
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 66031162) is 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1[nH]c(=O)sc1S(=O)(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JJGKCMRRQWLYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-5-9(18-10(15)11-5)19(16,17)12-7-3-2-6(4-7)8(13)14/h6-7,12H,2-4H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).