7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid

C19H39NO5S — CID 88805495

IUPAC7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid
SMILESCCCCC(C)(C)C(O)CCCCS(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C19H39NO5S/c1-4-5-14-19(2,3)17(21)12-9-11-16-26(24,25)20-15-10-7-6-8-13-18(22)23/h17,20-21H,4-16H2,1-3H3,(H,22,23)
InChIKeyZOJNCKIIKAYYMN-UHFFFAOYSA-N
MW393.59 g/mol
LogP3.69
Rot. Bonds17

About 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid

7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid (PubChem CID 88805495) has the molecular formula C19H39NO5S and a molecular weight of 393.59 g/mol. Its IUPAC name is 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid.

Molecular Properties

Compound Name7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid
PubChem CID88805495
Molecular FormulaC19H39NO5S
Molecular Weight393.59 g/mol
Exact Mass393.25
IUPAC Name7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid
SMILESCCCCC(C)(C)C(O)CCCCS(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C19H39NO5S/c1-4-5-14-19(2,3)17(21)12-9-11-16-26(24,25)20-15-10-7-6-8-13-18(22)23/h17,20-21H,4-16H2,1-3H3,(H,22,23)
InChIKeyZOJNCKIIKAYYMN-UHFFFAOYSA-N
XLogP3.69
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.59
LogP ≤ 53.69
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

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CID 4605614
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CID 24704780
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CID 158957743
8-(ethylsulfonylamino)octanoic acid
CID 21103229
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
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CID 57164493
6-(1-hydroxydecylamino)hexanoic acid
CID 57248490
N-decylbutane-1-sulfonamide
CID 19681427
2-dodecyl-2-octyltetradecanoic acid;icosan-9-ol;tetradecanoic acid
CID 175984062
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163

Frequently Asked Questions

What is the IUPAC name of 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid?
The IUPAC name of 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid (CID 88805495) is 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid.
What is the SMILES notation for 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid?
The canonical SMILES for 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid is CCCCC(C)(C)C(O)CCCCS(=O)(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid?
The InChIKey is ZOJNCKIIKAYYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO5S/c1-4-5-14-19(2,3)17(21)12-9-11-16-26(24,25)20-15-10-7-6-8-13-18(22)23/h17,20-21H,4-16H2,1-3H3,(H,22,23).
What are the key properties of 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid?
7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid has a molecular weight of 393.59 g/mol, XLogP of 3.69, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid is sourced from PubChem (CID 88805495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).