methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate

C12H14N2O5S2 — CID 126815847

IUPACmethyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate
SMILESCOC(=O)C(C)(CO)NS(=O)(=O)c1cnc2ccsc2c1
InChIInChI=1S/C12H14N2O5S2/c1-12(7-15,11(16)19-2)14-21(17,18)8-5-10-9(13-6-8)3-4-20-10/h3-6,14-15H,7H2,1-2H3
InChIKeyLEIBJSMNELGKJA-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.50
Rot. Bonds5

About methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate

methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate (PubChem CID 126815847) has the molecular formula C12H14N2O5S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate
PubChem CID126815847
Molecular FormulaC12H14N2O5S2
Molecular Weight330.39 g/mol
Exact Mass330.03
IUPAC Namemethyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate
SMILESCOC(=O)C(C)(CO)NS(=O)(=O)c1cnc2ccsc2c1
InChIInChI=1S/C12H14N2O5S2/c1-12(7-15,11(16)19-2)14-21(17,18)8-5-10-9(13-6-8)3-4-20-10/h3-6,14-15H,7H2,1-2H3
InChIKeyLEIBJSMNELGKJA-UHFFFAOYSA-N
XLogP0.50
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2,2-dimethylpropyl)pyrazol-4-yl]thieno[3,2-b]pyridine-6-sulfonamide
CID 167911809
N-(1-acetylcyclopropyl)thieno[3,2-b]pyridine-6-sulfonamide
CID 126840774
3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid
CID 166210715
methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate
CID 126815845
N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide
CID 127266868
N-(5-methyl-2,3-dihydro-1H-inden-1-yl)thieno[3,2-b]pyridine-6-sulfonamide
CID 154872561
3-N,6-N-ditert-butylquinoline-3,6-disulfonamide
CID 139226948
methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
CID 43624452
methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
CID 43624461
2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
CID 115359066
2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol
CID 109396214
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate (CID 126815847) is methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate is COC(=O)C(C)(CO)NS(=O)(=O)c1cnc2ccsc2c1.
What is the InChIKey of methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate?
The InChIKey is LEIBJSMNELGKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S2/c1-12(7-15,11(16)19-2)14-21(17,18)8-5-10-9(13-6-8)3-4-20-10/h3-6,14-15H,7H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate?
methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate has a molecular weight of 330.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate is sourced from PubChem (CID 126815847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).