7-(5-hydroxydodecylsulfonylamino)heptanoic acid

C19H39NO5S — CID 88805178

IUPAC7-(5-hydroxydodecylsulfonylamino)heptanoic acid
SMILESCCCCCCCC(O)CCCCS(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C19H39NO5S/c1-2-3-4-5-8-13-18(21)14-10-12-17-26(24,25)20-16-11-7-6-9-15-19(22)23/h18,20-21H,2-17H2,1H3,(H,22,23)
InChIKeyITQMCPYYAGXMLB-UHFFFAOYSA-N
MW393.59 g/mol
LogP3.83
Rot. Bonds19

About 7-(5-hydroxydodecylsulfonylamino)heptanoic acid

7-(5-hydroxydodecylsulfonylamino)heptanoic acid (PubChem CID 88805178) has the molecular formula C19H39NO5S and a molecular weight of 393.59 g/mol. Its IUPAC name is 7-(5-hydroxydodecylsulfonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(5-hydroxydodecylsulfonylamino)heptanoic acid
PubChem CID88805178
Molecular FormulaC19H39NO5S
Molecular Weight393.59 g/mol
Exact Mass393.25
IUPAC Name7-(5-hydroxydodecylsulfonylamino)heptanoic acid
SMILESCCCCCCCC(O)CCCCS(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C19H39NO5S/c1-2-3-4-5-8-13-18(21)14-10-12-17-26(24,25)20-16-11-7-6-9-15-19(22)23/h18,20-21H,2-17H2,1H3,(H,22,23)
InChIKeyITQMCPYYAGXMLB-UHFFFAOYSA-N
XLogP3.83
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.59
LogP ≤ 53.83
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

7-[(10,10,10-Trifluoro-5-hydroxydecyl)sulfonylamino]heptanoic acid
CID 88805489
Ethyl 7-[(5-acetyloxy-10,10,10-trifluorodecyl)sulfonylamino]heptanoate
CID 88805492
7-(4-Pentanoyloxynonylsulfonylamino)heptanoic acid
CID 20327653
7-(4-Butanoyloxynonylsulfonylamino)heptanoic acid
CID 20327675
7-[Ethylsulfonyl(4-hydroxynonyl)amino]heptanoic acid
CID 20327692
7-[4-(2-Methylpropanoyloxy)nonylsulfonylamino]heptanoic acid
CID 20327695
7-(4-Propanoyloxynonylsulfonylamino)heptanoic acid
CID 20327700
7-[4-Hydroxynonyl(propan-2-ylsulfonyl)amino]heptanoic acid
CID 20327705
7-(4-Formyloxynonylsulfonylamino)heptanoic acid
CID 20327712
7-[4-Hydroxynonyl(propylsulfonyl)amino]heptanoic acid
CID 20327716
1-[2-(Ethylsulfonylamino)-3-hydroxypropoxy]pentan-3-yl dodecanoate
CID 20685982
8-(Ethylsulfonylamino)octanoic acid
CID 21103229

Frequently Asked Questions

What is the IUPAC name of 7-(5-hydroxydodecylsulfonylamino)heptanoic acid?
The IUPAC name of 7-(5-hydroxydodecylsulfonylamino)heptanoic acid (CID 88805178) is 7-(5-hydroxydodecylsulfonylamino)heptanoic acid.
What is the SMILES notation for 7-(5-hydroxydodecylsulfonylamino)heptanoic acid?
The canonical SMILES for 7-(5-hydroxydodecylsulfonylamino)heptanoic acid is CCCCCCCC(O)CCCCS(=O)(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-(5-hydroxydodecylsulfonylamino)heptanoic acid?
The InChIKey is ITQMCPYYAGXMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO5S/c1-2-3-4-5-8-13-18(21)14-10-12-17-26(24,25)20-16-11-7-6-9-15-19(22)23/h18,20-21H,2-17H2,1H3,(H,22,23).
What are the key properties of 7-(5-hydroxydodecylsulfonylamino)heptanoic acid?
7-(5-hydroxydodecylsulfonylamino)heptanoic acid has a molecular weight of 393.59 g/mol, XLogP of 3.83, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-hydroxydodecylsulfonylamino)heptanoic acid is sourced from PubChem (CID 88805178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).