4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid

C10H20N2O5S — CID 60948376

IUPAC4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
SMILESCCNC(=O)CN(CC)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H20N2O5S/c1-3-11-9(13)8-12(4-2)18(16,17)7-5-6-10(14)15/h3-8H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyPTVMXTCGPJLABN-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.36
Rot. Bonds9

About 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid

4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid (PubChem CID 60948376) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
PubChem CID60948376
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
SMILESCCNC(=O)CN(CC)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H20N2O5S/c1-3-11-9(13)8-12(4-2)18(16,17)7-5-6-10(14)15/h3-8H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyPTVMXTCGPJLABN-UHFFFAOYSA-N
XLogP-0.36
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
CID 63954719
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
CID 82326450
2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 79585552
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
CID 43588369
4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid
CID 54875088
2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
CID 54986338
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbutanoic acid
CID 60950984

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid (CID 60948376) is 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid is CCNC(=O)CN(CC)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The InChIKey is PTVMXTCGPJLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-3-11-9(13)8-12(4-2)18(16,17)7-5-6-10(14)15/h3-8H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 60948376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).