5-(propylsulfamoylamino)pentanoic acid

C8H18N2O4S — CID 114806222

IUPAC5-(propylsulfamoylamino)pentanoic acid
SMILESCCCNS(=O)(=O)NCCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-2-6-9-15(13,14)10-7-4-3-5-8(11)12/h9-10H,2-7H2,1H3,(H,11,12)
InChIKeyDSCDXGSWWUVSMG-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.08
Rot. Bonds9

About 5-(propylsulfamoylamino)pentanoic acid

5-(propylsulfamoylamino)pentanoic acid (PubChem CID 114806222) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-(propylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(propylsulfamoylamino)pentanoic acid
PubChem CID114806222
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name5-(propylsulfamoylamino)pentanoic acid
SMILESCCCNS(=O)(=O)NCCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-2-6-9-15(13,14)10-7-4-3-5-8(11)12/h9-10H,2-7H2,1H3,(H,11,12)
InChIKeyDSCDXGSWWUVSMG-UHFFFAOYSA-N
XLogP0.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(ethylsulfonylamino)octanoic acid
CID 21103229
7-(butylsulfonylamino)heptanoic acid
CID 24704780
5-(propylamino)pentanoic acid
CID 103691549
11-(octylsulfonylamino)undecanoic acid
CID 4605614
hexanedioic acid;N-propylpropan-1-amine
CID 88686443
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid
CID 161088986
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid
CID 54947148
octadecanoic acid;sulfuric acid;hydrochloride
CID 173286846
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565

Frequently Asked Questions

What is the IUPAC name of 5-(propylsulfamoylamino)pentanoic acid?
The IUPAC name of 5-(propylsulfamoylamino)pentanoic acid (CID 114806222) is 5-(propylsulfamoylamino)pentanoic acid.
What is the SMILES notation for 5-(propylsulfamoylamino)pentanoic acid?
The canonical SMILES for 5-(propylsulfamoylamino)pentanoic acid is CCCNS(=O)(=O)NCCCCC(=O)O.
What is the InChIKey of 5-(propylsulfamoylamino)pentanoic acid?
The InChIKey is DSCDXGSWWUVSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-2-6-9-15(13,14)10-7-4-3-5-8(11)12/h9-10H,2-7H2,1H3,(H,11,12).
What are the key properties of 5-(propylsulfamoylamino)pentanoic acid?
5-(propylsulfamoylamino)pentanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.08, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 114806222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).