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

C11H16N2O5S2 — CID 138673534

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid
SMILESCOCCC(C(=O)O)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H16N2O5S2/c1-18-5-4-8(10(14)15)9-6-19-11(12-9)13-20(16,17)7-2-3-7/h6-8H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeySXSSBEVOFGBCCE-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.25
Rot. Bonds8

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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid (PubChem CID 138673534) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid
PubChem CID138673534
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid
SMILESCOCCC(C(=O)O)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H16N2O5S2/c1-18-5-4-8(10(14)15)9-6-19-11(12-9)13-20(16,17)7-2-3-7/h6-8H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeySXSSBEVOFGBCCE-UHFFFAOYSA-N
XLogP1.25
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid (CID 138673534) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid is COCCC(C(=O)O)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid?
The InChIKey is SXSSBEVOFGBCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-18-5-4-8(10(14)15)9-6-19-11(12-9)13-20(16,17)7-2-3-7/h6-8H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid has a molecular weight of 320.39 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid is sourced from PubChem (CID 138673534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).