methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate

C10H13NO6S2 — CID 70605074

IUPACmethyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1sccc1S(=O)(=O)N(C)C(=O)OC
InChIInChI=1S/C10H13NO6S2/c1-11(10(13)17-3)19(14,15)8-4-5-18-7(8)6-9(12)16-2/h4-5H,6H2,1-3H3
InChIKeyMFMHSHUBCUWWSK-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.85
Rot. Bonds4

About methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate

methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate (PubChem CID 70605074) has the molecular formula C10H13NO6S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate
PubChem CID70605074
Molecular FormulaC10H13NO6S2
Molecular Weight307.35 g/mol
Exact Mass307.02
IUPAC Namemethyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1sccc1S(=O)(=O)N(C)C(=O)OC
InChIInChI=1S/C10H13NO6S2/c1-11(10(13)17-3)19(14,15)8-4-5-18-7(8)6-9(12)16-2/h4-5H,6H2,1-3H3
InChIKeyMFMHSHUBCUWWSK-UHFFFAOYSA-N
XLogP0.85
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(3-propylthiophen-2-yl)acetate
CID 89322022
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
methyl 2-[2-(cyanomethyl)thiophen-3-yl]acetate
CID 102050122
methyl 3-[[(2R)-3,3-dimethylbutan-2-yl]-methylsulfamoyl]thiophene-2-carboxylate
CID 35394475
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667445
methyl 2-[[3-[methyl-[2-methyl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]sulfamoyl]thiophen-2-yl]methylsulfanyl]acetate
CID 90291826
methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate
CID 78996186
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
CID 55031912
N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide
CID 114265104

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate (CID 70605074) is methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate is COC(=O)Cc1sccc1S(=O)(=O)N(C)C(=O)OC.
What is the InChIKey of methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate?
The InChIKey is MFMHSHUBCUWWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S2/c1-11(10(13)17-3)19(14,15)8-4-5-18-7(8)6-9(12)16-2/h4-5H,6H2,1-3H3.
What are the key properties of methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate?
methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate has a molecular weight of 307.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[methoxycarbonyl(methyl)sulfamoyl]thiophen-2-yl]acetate is sourced from PubChem (CID 70605074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).