methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate

C11H16N2O4S2 — CID 138673483

IUPACmethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H16N2O4S2/c1-11(2,9(14)17-3)8-6-18-10(12-8)13-19(15,16)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyVAEMEXUUZPBMDX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.50
Rot. Bonds5

About methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate

methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate (PubChem CID 138673483) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate
PubChem CID138673483
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Namemethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H16N2O4S2/c1-11(2,9(14)17-3)8-6-18-10(12-8)13-19(15,16)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyVAEMEXUUZPBMDX-UHFFFAOYSA-N
XLogP1.50
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate (CID 138673483) is methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate is COC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate?
The InChIKey is VAEMEXUUZPBMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-11(2,9(14)17-3)8-6-18-10(12-8)13-19(15,16)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate?
methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate has a molecular weight of 304.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate is sourced from PubChem (CID 138673483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).