cyclohexylsulfamic acid;octadecanoic acid

C24H49NO5S — CID 158910337

IUPACcyclohexylsulfamic acid;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C18H36O2.C6H13NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-11(9,10)7-6-4-2-1-3-5-6/h2-17H2,1H3,(H,19,20);6-7H,1-5H2,(H,8,9,10)
InChIKeyJGOJWAYGFSFMCI-UHFFFAOYSA-N
MW463.73 g/mol
LogP7.04
Rot. Bonds18

About cyclohexylsulfamic acid;octadecanoic acid

cyclohexylsulfamic acid;octadecanoic acid (PubChem CID 158910337) has the molecular formula C24H49NO5S and a molecular weight of 463.73 g/mol. Its IUPAC name is cyclohexylsulfamic acid;octadecanoic acid.

Molecular Properties

Compound Namecyclohexylsulfamic acid;octadecanoic acid
PubChem CID158910337
Molecular FormulaC24H49NO5S
Molecular Weight463.73 g/mol
Exact Mass463.33
IUPAC Namecyclohexylsulfamic acid;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C18H36O2.C6H13NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-11(9,10)7-6-4-2-1-3-5-6/h2-17H2,1H3,(H,19,20);6-7H,1-5H2,(H,8,9,10)
InChIKeyJGOJWAYGFSFMCI-UHFFFAOYSA-N
XLogP7.04
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.73
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tris(cyclododecanol);hexadecanoic acid
CID 175985554
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
cyclononylsulfamic acid
CID 67135870
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
octadecanoic acid;sulfuric acid;hydrochloride
CID 173286846
cyclohexylsulfamic acid;hydrochloride
CID 67875894
cyclopentylsulfamic acid
CID 21123026
CID 57488644
CID 57488644
CID 87141410
CID 87141410
tris(dodecanoic acid);lanthanum
CID 172783441
decanoic acid;propanoic acid
CID 87792095

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfamic acid;octadecanoic acid?
The IUPAC name of cyclohexylsulfamic acid;octadecanoic acid (CID 158910337) is cyclohexylsulfamic acid;octadecanoic acid.
What is the SMILES notation for cyclohexylsulfamic acid;octadecanoic acid?
The canonical SMILES for cyclohexylsulfamic acid;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.O=S(=O)(O)NC1CCCCC1.
What is the InChIKey of cyclohexylsulfamic acid;octadecanoic acid?
The InChIKey is JGOJWAYGFSFMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C6H13NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-11(9,10)7-6-4-2-1-3-5-6/h2-17H2,1H3,(H,19,20);6-7H,1-5H2,(H,8,9,10).
What are the key properties of cyclohexylsulfamic acid;octadecanoic acid?
cyclohexylsulfamic acid;octadecanoic acid has a molecular weight of 463.73 g/mol, XLogP of 7.04, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfamic acid;octadecanoic acid is sourced from PubChem (CID 158910337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).