2-(2-methylpentan-3-ylsulfamoyl)acetic acid

C8H17NO4S — CID 61469735

IUPAC2-(2-methylpentan-3-ylsulfamoyl)acetic acid
SMILESCCC(NS(=O)(=O)CC(=O)O)C(C)C
InChIInChI=1S/C8H17NO4S/c1-4-7(6(2)3)9-14(12,13)5-8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyUFRKPWGLRFXRSW-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.43
Rot. Bonds6

About 2-(2-methylpentan-3-ylsulfamoyl)acetic acid

2-(2-methylpentan-3-ylsulfamoyl)acetic acid (PubChem CID 61469735) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(2-methylpentan-3-ylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(2-methylpentan-3-ylsulfamoyl)acetic acid
PubChem CID61469735
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-(2-methylpentan-3-ylsulfamoyl)acetic acid
SMILESCCC(NS(=O)(=O)CC(=O)O)C(C)C
InChIInChI=1S/C8H17NO4S/c1-4-7(6(2)3)9-14(12,13)5-8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyUFRKPWGLRFXRSW-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpentan-3-yl)propane-1-sulfonamide
CID 61481422
2-(1-cyclopropylbutan-2-ylsulfamoyl)acetic acid
CID 63994838
2-(1-cyclohexylpropylsulfamoyl)acetic acid
CID 62405233
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
2-(1-aminopentan-2-ylsulfamoyl)acetic acid
CID 65193173
2-[(2R)-butan-2-yl]sulfonylacetic acid
CID 28744627
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropane-1-sulfonamide
CID 79255900
2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid
CID 43361907
3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
4-(2-methylpentan-3-ylamino)butanoic acid
CID 60782798
(E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide
CID 130218574

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-ylsulfamoyl)acetic acid?
The IUPAC name of 2-(2-methylpentan-3-ylsulfamoyl)acetic acid (CID 61469735) is 2-(2-methylpentan-3-ylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(2-methylpentan-3-ylsulfamoyl)acetic acid?
The canonical SMILES for 2-(2-methylpentan-3-ylsulfamoyl)acetic acid is CCC(NS(=O)(=O)CC(=O)O)C(C)C.
What is the InChIKey of 2-(2-methylpentan-3-ylsulfamoyl)acetic acid?
The InChIKey is UFRKPWGLRFXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-4-7(6(2)3)9-14(12,13)5-8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-(2-methylpentan-3-ylsulfamoyl)acetic acid?
2-(2-methylpentan-3-ylsulfamoyl)acetic acid has a molecular weight of 223.29 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-ylsulfamoyl)acetic acid is sourced from PubChem (CID 61469735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).