methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate

C10H16N2O4S2 — CID 55013821

IUPACmethyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C10H16N2O4S2/c1-12(6-9-7-17-8-11-9)18(14,15)5-3-4-10(13)16-2/h7-8H,3-6H2,1-2H3
InChIKeyYCVMSTOUSDRPCT-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.86
Rot. Bonds7

About methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate

methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate (PubChem CID 55013821) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate
PubChem CID55013821
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Namemethyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C10H16N2O4S2/c1-12(6-9-7-17-8-11-9)18(14,15)5-3-4-10(13)16-2/h7-8H,3-6H2,1-2H3
InChIKeyYCVMSTOUSDRPCT-UHFFFAOYSA-N
XLogP0.86
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate (CID 55013821) is methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(C)Cc1cscn1.
What is the InChIKey of methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate?
The InChIKey is YCVMSTOUSDRPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-12(6-9-7-17-8-11-9)18(14,15)5-3-4-10(13)16-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate?
methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate has a molecular weight of 292.38 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoate is sourced from PubChem (CID 55013821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).