1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid

C12H16N2O4S2 — CID 138673572

IUPAC1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2csc(NS(=O)(=O)C3CC3)n2)CCCC1
InChIInChI=1S/C12H16N2O4S2/c15-10(16)12(5-1-2-6-12)9-7-19-11(13-9)14-20(17,18)8-3-4-8/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChIKeyXIFZRNWOYZFFOM-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid

1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid (PubChem CID 138673572) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid
PubChem CID138673572
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2csc(NS(=O)(=O)C3CC3)n2)CCCC1
InChIInChI=1S/C12H16N2O4S2/c15-10(16)12(5-1-2-6-12)9-7-19-11(13-9)14-20(17,18)8-3-4-8/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChIKeyXIFZRNWOYZFFOM-UHFFFAOYSA-N
XLogP1.94
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-(difluoromethylidene)cyclohexane-1-carboxylate
CID 178959109
N-[4-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 11623617
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid
CID 138673534
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 138673668
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoic acid
CID 138673715
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoic acid
CID 138673726
2-Methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid
CID 138673839
2-(2-(Cyclopropanesulfonamido)thiazol-4-yl)-2-methylpropanoic acid
CID 138673865
Ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
CID 138673952
2-Methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid
CID 138673985
2-[2-(Tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 138701073
2-[2-(Cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid
CID 138701111

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid (CID 138673572) is 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2csc(NS(=O)(=O)C3CC3)n2)CCCC1.
What is the InChIKey of 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid?
The InChIKey is XIFZRNWOYZFFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c15-10(16)12(5-1-2-6-12)9-7-19-11(13-9)14-20(17,18)8-3-4-8/h7-8H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid?
1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 138673572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).