5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide

C18H33N3O2S — CID 150599480

IUPAC5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide
SMILESCCCCCCCCCC(C#N)(CCCC)S(=O)(=O)NCCC#N
InChIInChI=1S/C18H33N3O2S/c1-3-5-7-8-9-10-11-14-18(17-20,13-6-4-2)24(22,23)21-16-12-15-19/h21H,3-14,16H2,1-2H3
InChIKeyIROFATQXIRCELB-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.41
Rot. Bonds15

About 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide

5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide (PubChem CID 150599480) has the molecular formula C18H33N3O2S and a molecular weight of 355.55 g/mol. Its IUPAC name is 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide
PubChem CID150599480
Molecular FormulaC18H33N3O2S
Molecular Weight355.55 g/mol
Exact Mass355.23
IUPAC Name5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide
SMILESCCCCCCCCCC(C#N)(CCCC)S(=O)(=O)NCCC#N
InChIInChI=1S/C18H33N3O2S/c1-3-5-7-8-9-10-11-14-18(17-20,13-6-4-2)24(22,23)21-16-12-15-19/h21H,3-14,16H2,1-2H3
InChIKeyIROFATQXIRCELB-UHFFFAOYSA-N
XLogP4.41
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide?
The IUPAC name of 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide (CID 150599480) is 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide is CCCCCCCCCC(C#N)(CCCC)S(=O)(=O)NCCC#N.
What is the InChIKey of 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide?
The InChIKey is IROFATQXIRCELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S/c1-3-5-7-8-9-10-11-14-18(17-20,13-6-4-2)24(22,23)21-16-12-15-19/h21H,3-14,16H2,1-2H3.
What are the key properties of 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide?
5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide has a molecular weight of 355.55 g/mol, XLogP of 4.41, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide is sourced from PubChem (CID 150599480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).