5-cyano-N-(cyanomethyl)nonane-5-sulfonamide

C12H21N3O2S — CID 150027809

IUPAC5-cyano-N-(cyanomethyl)nonane-5-sulfonamide
SMILESCCCCC(C#N)(CCCC)S(=O)(=O)NCC#N
InChIInChI=1S/C12H21N3O2S/c1-3-5-7-12(11-14,8-6-4-2)18(16,17)15-10-9-13/h15H,3-8,10H2,1-2H3
InChIKeyDGPLXEVCBKUVAN-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.07
Rot. Bonds9

About 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide

5-cyano-N-(cyanomethyl)nonane-5-sulfonamide (PubChem CID 150027809) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(cyanomethyl)nonane-5-sulfonamide
PubChem CID150027809
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-cyano-N-(cyanomethyl)nonane-5-sulfonamide
SMILESCCCCC(C#N)(CCCC)S(=O)(=O)NCC#N
InChIInChI=1S/C12H21N3O2S/c1-3-5-7-12(11-14,8-6-4-2)18(16,17)15-10-9-13/h15H,3-8,10H2,1-2H3
InChIKeyDGPLXEVCBKUVAN-UHFFFAOYSA-N
XLogP2.07
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-cyano-N-(cyanomethyl)dodecane-4-sulfonamide
CID 150331861
4-cyano-N-(2-cyanoethyl)dodecane-4-sulfonamide
CID 150391933
5-cyano-N-(3-cyanopropyl)tetradecane-5-sulfonamide
CID 150560291
5-cyano-N-(2-cyanoethyl)tetradecane-5-sulfonamide
CID 150599480
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
4-cyano-N-(2-cyanoethyl)tridecane-4-sulfonamide
CID 150845048

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide?
The IUPAC name of 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide (CID 150027809) is 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide.
What is the SMILES notation for 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide?
The canonical SMILES for 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide is CCCCC(C#N)(CCCC)S(=O)(=O)NCC#N.
What is the InChIKey of 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide?
The InChIKey is DGPLXEVCBKUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-5-7-12(11-14,8-6-4-2)18(16,17)15-10-9-13/h15H,3-8,10H2,1-2H3.
What are the key properties of 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide?
5-cyano-N-(cyanomethyl)nonane-5-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(cyanomethyl)nonane-5-sulfonamide is sourced from PubChem (CID 150027809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).