2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid

C9H13NO4S2 — CID 61454199

IUPAC2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)Cc1cccs1
InChIInChI=1S/C9H13NO4S2/c1-7(9(11)12)16(13,14)10(2)6-8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyPBVRNEKWUVQILN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.98
Rot. Bonds5

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

2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid (PubChem CID 61454199) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
PubChem CID61454199
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)Cc1cccs1
InChIInChI=1S/C9H13NO4S2/c1-7(9(11)12)16(13,14)10(2)6-8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyPBVRNEKWUVQILN-UHFFFAOYSA-N
XLogP0.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-[(4-hydroxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 54947444
N-propan-2-yl-N-(thiophen-2-ylmethyl)propane-2-sulfonamide
CID 61395279
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 54946897
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]propanoic acid
CID 63843969

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid (CID 61454199) is 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(C)Cc1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid?
The InChIKey is PBVRNEKWUVQILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-7(9(11)12)16(13,14)10(2)6-8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid?
2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).