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

C19H35N3O2S — CID 150560291

IUPAC5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide
SMILESCCCCCCCCCC(C#N)(CCCC)S(=O)(=O)NCCCC#N
InChIInChI=1S/C19H35N3O2S/c1-3-5-7-8-9-10-11-15-19(18-21,14-6-4-2)25(23,24)22-17-13-12-16-20/h22H,3-15,17H2,1-2H3
InChIKeyIJSBTCHIEAOSCM-UHFFFAOYSA-N
MW369.58 g/mol
LogP4.80
Rot. Bonds16

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

5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide (PubChem CID 150560291) has the molecular formula C19H35N3O2S and a molecular weight of 369.58 g/mol. Its IUPAC name is 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide
PubChem CID150560291
Molecular FormulaC19H35N3O2S
Molecular Weight369.58 g/mol
Exact Mass369.24
IUPAC Name5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide
SMILESCCCCCCCCCC(C#N)(CCCC)S(=O)(=O)NCCCC#N
InChIInChI=1S/C19H35N3O2S/c1-3-5-7-8-9-10-11-15-19(18-21,14-6-4-2)25(23,24)22-17-13-12-16-20/h22H,3-15,17H2,1-2H3
InChIKeyIJSBTCHIEAOSCM-UHFFFAOYSA-N
XLogP4.80
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.80
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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Related Compounds

5-cyano-N-(cyanomethyl)decane-5-sulfonamide
CID 149161721
4-cyano-N-(cyanomethyl)nonane-4-sulfonamide
CID 149897335
5-cyano-N-(cyanomethyl)undecane-5-sulfonamide
CID 149948527
5-cyano-N-(cyanomethyl)nonane-5-sulfonamide
CID 150027809
4-cyano-N-(cyanomethyl)dodecane-4-sulfonamide
CID 150331861
4-cyano-N-(2-cyanoethyl)dodecane-4-sulfonamide
CID 150391933
5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide
CID 150599480
N-(3-cyanopropyl)tetradecane-5-sulfonamide
CID 150658931
4-cyano-N-(2-cyanoethyl)heptane-4-sulfonamide
CID 150685382
3-cyano-N-(cyanomethyl)decane-3-sulfonamide
CID 150696101
3-cyano-N-(cyanomethyl)dodecane-3-sulfonamide
CID 150697639
4-cyano-N-(3-cyanopropyl)octane-4-sulfonamide
CID 150842741

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide?
The IUPAC name of 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide (CID 150560291) is 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide?
The canonical SMILES for 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide is CCCCCCCCCC(C#N)(CCCC)S(=O)(=O)NCCCC#N.
What is the InChIKey of 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide?
The InChIKey is IJSBTCHIEAOSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2S/c1-3-5-7-8-9-10-11-15-19(18-21,14-6-4-2)25(23,24)22-17-13-12-16-20/h22H,3-15,17H2,1-2H3.
What are the key properties of 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide?
5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide has a molecular weight of 369.58 g/mol, XLogP of 4.80, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide is sourced from PubChem (CID 150560291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).