1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide

C10H17N3O2S — CID 151596603

IUPAC1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide
SMILESCCCC(C#N)S(=O)(=O)NCCCCC#N
InChIInChI=1S/C10H17N3O2S/c1-2-6-10(9-12)16(14,15)13-8-5-3-4-7-11/h10,13H,2-6,8H2,1H3
InChIKeyQJPACDWPVFNTKW-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.29
Rot. Bonds8

About 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide

1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide (PubChem CID 151596603) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide
PubChem CID151596603
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide
SMILESCCCC(C#N)S(=O)(=O)NCCCCC#N
InChIInChI=1S/C10H17N3O2S/c1-2-6-10(9-12)16(14,15)13-8-5-3-4-7-11/h10,13H,2-6,8H2,1H3
InChIKeyQJPACDWPVFNTKW-UHFFFAOYSA-N
XLogP1.29
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.29
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 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide (CID 151596603) is 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide is CCCC(C#N)S(=O)(=O)NCCCCC#N.
What is the InChIKey of 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide?
The InChIKey is QJPACDWPVFNTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-6-10(9-12)16(14,15)13-8-5-3-4-7-11/h10,13H,2-6,8H2,1H3.
What are the key properties of 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide?
1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide is sourced from PubChem (CID 151596603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).