N-(3-cyanopropyl)tetradecane-5-sulfonamide

C18H36N2O2S — CID 150658931

IUPACN-(3-cyanopropyl)tetradecane-5-sulfonamide
SMILESCCCCCCCCCC(CCCC)S(=O)(=O)NCCCC#N
InChIInChI=1S/C18H36N2O2S/c1-3-5-7-8-9-10-11-15-18(14-6-4-2)23(21,22)20-17-13-12-16-19/h18,20H,3-15,17H2,1-2H3
InChIKeyJDLMIFUSRHMIBN-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.91
Rot. Bonds16

About N-(3-cyanopropyl)tetradecane-5-sulfonamide

N-(3-cyanopropyl)tetradecane-5-sulfonamide (PubChem CID 150658931) has the molecular formula C18H36N2O2S and a molecular weight of 344.57 g/mol. Its IUPAC name is N-(3-cyanopropyl)tetradecane-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)tetradecane-5-sulfonamide
PubChem CID150658931
Molecular FormulaC18H36N2O2S
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC NameN-(3-cyanopropyl)tetradecane-5-sulfonamide
SMILESCCCCCCCCCC(CCCC)S(=O)(=O)NCCCC#N
InChIInChI=1S/C18H36N2O2S/c1-3-5-7-8-9-10-11-15-18(14-6-4-2)23(21,22)20-17-13-12-16-19/h18,20H,3-15,17H2,1-2H3
InChIKeyJDLMIFUSRHMIBN-UHFFFAOYSA-N
XLogP4.91
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(3-cyanopropyl)tetradecane-5-sulfonamide?
The IUPAC name of N-(3-cyanopropyl)tetradecane-5-sulfonamide (CID 150658931) is N-(3-cyanopropyl)tetradecane-5-sulfonamide.
What is the SMILES notation for N-(3-cyanopropyl)tetradecane-5-sulfonamide?
The canonical SMILES for N-(3-cyanopropyl)tetradecane-5-sulfonamide is CCCCCCCCCC(CCCC)S(=O)(=O)NCCCC#N.
What is the InChIKey of N-(3-cyanopropyl)tetradecane-5-sulfonamide?
The InChIKey is JDLMIFUSRHMIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2S/c1-3-5-7-8-9-10-11-15-18(14-6-4-2)23(21,22)20-17-13-12-16-19/h18,20H,3-15,17H2,1-2H3.
What are the key properties of N-(3-cyanopropyl)tetradecane-5-sulfonamide?
N-(3-cyanopropyl)tetradecane-5-sulfonamide has a molecular weight of 344.57 g/mol, XLogP of 4.91, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)tetradecane-5-sulfonamide is sourced from PubChem (CID 150658931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).