methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate

C9H14N2O5S2 — CID 55001890

IUPACmethyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H14N2O5S2/c1-6-8(17-9(13)10-6)18(14,15)11(2)5-4-7(12)16-3/h4-5H2,1-3H3,(H,10,13)
InChIKeyQTRHRDJKSYYLSK-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.07
Rot. Bonds5

About methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate

methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate (PubChem CID 55001890) has the molecular formula C9H14N2O5S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
PubChem CID55001890
Molecular FormulaC9H14N2O5S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Namemethyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H14N2O5S2/c1-6-8(17-9(13)10-6)18(14,15)11(2)5-4-7(12)16-3/h4-5H2,1-3H3,(H,10,13)
InChIKeyQTRHRDJKSYYLSK-UHFFFAOYSA-N
XLogP-0.07
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate (CID 55001890) is methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?
The InChIKey is QTRHRDJKSYYLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S2/c1-6-8(17-9(13)10-6)18(14,15)11(2)5-4-7(12)16-3/h4-5H2,1-3H3,(H,10,13).
What are the key properties of methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?
methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate has a molecular weight of 294.35 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate is sourced from PubChem (CID 55001890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).