3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid

C10H15NO4S2 — CID 79019132

IUPAC3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
SMILESCN(CCc1cccs1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H15NO4S2/c1-11(6-4-9-3-2-7-16-9)17(14,15)8-5-10(12)13/h2-3,7H,4-6,8H2,1H3,(H,12,13)
InChIKeyZFJASUSTFGDQAV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.03
Rot. Bonds7

About 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid

3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid (PubChem CID 79019132) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
PubChem CID79019132
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
SMILESCN(CCc1cccs1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H15NO4S2/c1-11(6-4-9-3-2-7-16-9)17(14,15)8-5-10(12)13/h2-3,7H,4-6,8H2,1H3,(H,12,13)
InChIKeyZFJASUSTFGDQAV-UHFFFAOYSA-N
XLogP1.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
1-(2-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 110733491
3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487712
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 60952712

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid (CID 79019132) is 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid is CN(CCc1cccs1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid?
The InChIKey is ZFJASUSTFGDQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-11(6-4-9-3-2-7-16-9)17(14,15)8-5-10(12)13/h2-3,7H,4-6,8H2,1H3,(H,12,13).
What are the key properties of 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid?
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 79019132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).