2-(pentan-3-ylsulfamoyl)propanoic acid

C8H17NO4S — CID 61454293

IUPAC2-(pentan-3-ylsulfamoyl)propanoic acid
SMILESCCC(CC)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-4-7(5-2)9-14(12,13)6(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyYBKKQVXUERKATF-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.57
Rot. Bonds6

About 2-(pentan-3-ylsulfamoyl)propanoic acid

2-(pentan-3-ylsulfamoyl)propanoic acid (PubChem CID 61454293) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(pentan-3-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(pentan-3-ylsulfamoyl)propanoic acid
PubChem CID61454293
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-(pentan-3-ylsulfamoyl)propanoic acid
SMILESCCC(CC)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-4-7(5-2)9-14(12,13)6(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyYBKKQVXUERKATF-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pentan-2-ylsulfamoyl)propanoic acid
CID 61454436
2-(dicyclopropylmethylsulfamoyl)propanoic acid
CID 61482345
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid
CID 61455040
2-(1-cyclopropylethylsulfamoyl)propanoic acid
CID 61454821
2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
CID 61454676
2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
CID 81386001
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
2-(2-methylbutylsulfonyl)propanoic acid
CID 62105863
2-[1-[4-(2-methylpropyl)phenyl]ethylsulfamoyl]propanoic acid
CID 61454832
2-(2-methoxyethoxysulfamoyl)propanoic acid
CID 82706100
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 43117065
2-[(2-aminocyclopentyl)sulfamoyl]propanoic acid
CID 63252218

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-3-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(pentan-3-ylsulfamoyl)propanoic acid (CID 61454293) is 2-(pentan-3-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(pentan-3-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(pentan-3-ylsulfamoyl)propanoic acid is CCC(CC)NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-(pentan-3-ylsulfamoyl)propanoic acid?
The InChIKey is YBKKQVXUERKATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-4-7(5-2)9-14(12,13)6(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-(pentan-3-ylsulfamoyl)propanoic acid?
2-(pentan-3-ylsulfamoyl)propanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-3-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 61454293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).