2-(4-hydroxypentylsulfamoyl)acetic acid

C7H15NO5S — CID 106120521

IUPAC2-(4-hydroxypentylsulfamoyl)acetic acid
SMILESCC(O)CCCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C7H15NO5S/c1-6(9)3-2-4-8-14(12,13)5-7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyBWKWVIKVHXCFSX-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.85
Rot. Bonds7

About 2-(4-hydroxypentylsulfamoyl)acetic acid

2-(4-hydroxypentylsulfamoyl)acetic acid (PubChem CID 106120521) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(4-hydroxypentylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxypentylsulfamoyl)acetic acid
PubChem CID106120521
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name2-(4-hydroxypentylsulfamoyl)acetic acid
SMILESCC(O)CCCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C7H15NO5S/c1-6(9)3-2-4-8-14(12,13)5-7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyBWKWVIKVHXCFSX-UHFFFAOYSA-N
XLogP-0.85
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
2-[(5-amino-5-oxopentyl)sulfamoyl]acetic acid
CID 106234815
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
CID 106125748
N-(3-hydroxybutyl)-2-methylsulfonylethanesulfonamide
CID 64911861
N-(4-hydroxypentyl)cyclopropanesulfonamide
CID 107271165
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 104683008
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypentylsulfamoyl)acetic acid?
The IUPAC name of 2-(4-hydroxypentylsulfamoyl)acetic acid (CID 106120521) is 2-(4-hydroxypentylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(4-hydroxypentylsulfamoyl)acetic acid?
The canonical SMILES for 2-(4-hydroxypentylsulfamoyl)acetic acid is CC(O)CCCNS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(4-hydroxypentylsulfamoyl)acetic acid?
The InChIKey is BWKWVIKVHXCFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-6(9)3-2-4-8-14(12,13)5-7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(4-hydroxypentylsulfamoyl)acetic acid?
2-(4-hydroxypentylsulfamoyl)acetic acid has a molecular weight of 225.27 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypentylsulfamoyl)acetic acid is sourced from PubChem (CID 106120521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).