methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate

C11H15NO5S2 — CID 115754700

IUPACmethyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate
SMILESC=CCN(CCO)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C11H15NO5S2/c1-3-5-12(6-7-13)19(15,16)9-4-8-18-10(9)11(14)17-2/h3-4,8,13H,1,5-7H2,2H3
InChIKeyGOYWFZKOMANAEH-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.70
Rot. Bonds7

About methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 115754700) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID115754700
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Namemethyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate
SMILESC=CCN(CCO)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C11H15NO5S2/c1-3-5-12(6-7-13)19(15,16)9-4-8-18-10(9)11(14)17-2/h3-4,8,13H,1,5-7H2,2H3
InChIKeyGOYWFZKOMANAEH-UHFFFAOYSA-N
XLogP0.70
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxycarbonylthiophen-3-yl)sulfonyl-prop-2-enylamino]acetic acid
CID 79264091
N-(2-hydroxyethyl)-2,5-dimethoxy-N-prop-2-enylbenzenesulfonamide
CID 115754601
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
CID 57388725
N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide
CID 115622116
methyl 3-[[(2R)-3,3-dimethylbutan-2-yl]-methylsulfamoyl]thiophene-2-carboxylate
CID 35394475
2-fluoro-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 115754678
methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3367491
methyl 3-[[2-hydroxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoate
CID 115754620
methyl 3-[[(2S)-2-but-3-enoxypropanoyl]sulfamoyl]thiophene-2-carboxylate
CID 95161365

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate (CID 115754700) is methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate is C=CCN(CCO)S(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is GOYWFZKOMANAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-3-5-12(6-7-13)19(15,16)9-4-8-18-10(9)11(14)17-2/h3-4,8,13H,1,5-7H2,2H3.
What are the key properties of methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 115754700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).