4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid

C10H15NO4S2 — CID 43362034

IUPAC4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
SMILESCN(Cc1cccs1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H15NO4S2/c1-11(8-9-4-2-6-16-9)17(14,15)7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyLTWJVLGTZUGALL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.37
Rot. Bonds7

About 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid

4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid (PubChem CID 43362034) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
PubChem CID43362034
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
SMILESCN(Cc1cccs1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H15NO4S2/c1-11(8-9-4-2-6-16-9)17(14,15)7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyLTWJVLGTZUGALL-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
CID 54875156
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 61454199
4-[(4-chlorophenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362117
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197339
methyl 4-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]butanoate
CID 61460631
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid
CID 55261145
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758
4-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473843

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid (CID 43362034) is 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid is CN(Cc1cccs1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid?
The InChIKey is LTWJVLGTZUGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-11(8-9-4-2-6-16-9)17(14,15)7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid?
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43362034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).