1-cyano-N,N-dihexylethanesulfonamide

C15H30N2O2S — CID 150723253

IUPAC1-cyano-N,N-dihexylethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(C)C#N
InChIInChI=1S/C15H30N2O2S/c1-4-6-8-10-12-17(13-11-9-7-5-2)20(18,19)15(3)14-16/h15H,4-13H2,1-3H3
InChIKeyJQHDMBXXLBTAED-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.69
Rot. Bonds12

About 1-cyano-N,N-dihexylethanesulfonamide

1-cyano-N,N-dihexylethanesulfonamide (PubChem CID 150723253) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-cyano-N,N-dihexylethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N,N-dihexylethanesulfonamide
PubChem CID150723253
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-cyano-N,N-dihexylethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(C)C#N
InChIInChI=1S/C15H30N2O2S/c1-4-6-8-10-12-17(13-11-9-7-5-2)20(18,19)15(3)14-16/h15H,4-13H2,1-3H3
InChIKeyJQHDMBXXLBTAED-UHFFFAOYSA-N
XLogP3.69
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
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 1-cyano-N,N-dihexylethanesulfonamide?
The IUPAC name of 1-cyano-N,N-dihexylethanesulfonamide (CID 150723253) is 1-cyano-N,N-dihexylethanesulfonamide.
What is the SMILES notation for 1-cyano-N,N-dihexylethanesulfonamide?
The canonical SMILES for 1-cyano-N,N-dihexylethanesulfonamide is CCCCCCN(CCCCCC)S(=O)(=O)C(C)C#N.
What is the InChIKey of 1-cyano-N,N-dihexylethanesulfonamide?
The InChIKey is JQHDMBXXLBTAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-6-8-10-12-17(13-11-9-7-5-2)20(18,19)15(3)14-16/h15H,4-13H2,1-3H3.
What are the key properties of 1-cyano-N,N-dihexylethanesulfonamide?
1-cyano-N,N-dihexylethanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 3.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N-dihexylethanesulfonamide is sourced from PubChem (CID 150723253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).