methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate

C11H18N2O4S2 — CID 138673625

IUPACmethyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)C(C)(C)c1csc(NS(=O)(=O)C(C)C)n1
InChIInChI=1S/C11H18N2O4S2/c1-7(2)19(15,16)13-10-12-8(6-18-10)11(3,4)9(14)17-5/h6-7H,1-5H3,(H,12,13)
InChIKeyOLPTYALILMLUPD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.74
Rot. Bonds5

About methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate

methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 138673625) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID138673625
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)C(C)(C)c1csc(NS(=O)(=O)C(C)C)n1
InChIInChI=1S/C11H18N2O4S2/c1-7(2)19(15,16)13-10-12-8(6-18-10)11(3,4)9(14)17-5/h6-7H,1-5H3,(H,12,13)
InChIKeyOLPTYALILMLUPD-UHFFFAOYSA-N
XLogP1.74
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate (CID 138673625) is methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate is COC(=O)C(C)(C)c1csc(NS(=O)(=O)C(C)C)n1.
What is the InChIKey of methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is OLPTYALILMLUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-7(2)19(15,16)13-10-12-8(6-18-10)11(3,4)9(14)17-5/h6-7H,1-5H3,(H,12,13).
What are the key properties of methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate?
methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 306.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 138673625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).