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

C10H16N2O5S2 — CID 54899328

IUPACmethyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H16N2O5S2/c1-4-12(6-5-8(13)17-3)19(15,16)9-7(2)11-10(14)18-9/h4-6H2,1-3H3,(H,11,14)
InChIKeyCJNVNMCRFHCWNS-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.32
Rot. Bonds6

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

methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate (PubChem CID 54899328) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
PubChem CID54899328
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Namemethyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H16N2O5S2/c1-4-12(6-5-8(13)17-3)19(15,16)9-7(2)11-10(14)18-9/h4-6H2,1-3H3,(H,11,14)
InChIKeyCJNVNMCRFHCWNS-UHFFFAOYSA-N
XLogP0.32
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate (CID 54899328) is methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?
The InChIKey is CJNVNMCRFHCWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-4-12(6-5-8(13)17-3)19(15,16)9-7(2)11-10(14)18-9/h4-6H2,1-3H3,(H,11,14).
What are the key properties of methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?
methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate has a molecular weight of 308.38 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate is sourced from PubChem (CID 54899328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).