methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate

C11H18N2O5S2 — CID 43423054

IUPACmethyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H18N2O5S2/c1-8-10(19-11(15)13-8)20(16,17)12-7-5-3-4-6-9(14)18-2/h12H,3-7H2,1-2H3,(H,13,15)
InChIKeyFYTFJPHXADDYPX-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.76
Rot. Bonds8

About methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate

methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate (PubChem CID 43423054) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate
PubChem CID43423054
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Namemethyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H18N2O5S2/c1-8-10(19-11(15)13-8)20(16,17)12-7-5-3-4-6-9(14)18-2/h12H,3-7H2,1-2H3,(H,13,15)
InChIKeyFYTFJPHXADDYPX-UHFFFAOYSA-N
XLogP0.76
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate with MolForge

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Related Compounds

7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
CID 43244912
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
4-methyl-N-(5-methylhexyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 115326850
N-hex-5-ynyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106213763
4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 43607055
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
N-[2-(cyclopropylamino)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62662828
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
methyl 6-[(2,5-dibromothiophen-3-yl)sulfonylamino]hexanoate
CID 43405597

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate?
The IUPAC name of methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate (CID 43423054) is methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate.
What is the SMILES notation for methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate?
The canonical SMILES for methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate is COC(=O)CCCCCNS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate?
The InChIKey is FYTFJPHXADDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-8-10(19-11(15)13-8)20(16,17)12-7-5-3-4-6-9(14)18-2/h12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate?
methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate has a molecular weight of 322.41 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate is sourced from PubChem (CID 43423054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).