(NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine

C17H33NO3S — CID 6109527

IUPAC(NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine
SMILESCCCCCS(=O)(=O)C1CCCCCCCCCC/C1=N/O
InChIInChI=1S/C17H33NO3S/c1-2-3-12-15-22(20,21)17-14-11-9-7-5-4-6-8-10-13-16(17)18-19/h17,19H,2-15H2,1H3/b18-16-
InChIKeySXFRUCNJSPEDNX-VLGSPTGOSA-N
MW331.52 g/mol
LogP4.70
Rot. Bonds5

About (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine

(NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine (PubChem CID 6109527) has the molecular formula C17H33NO3S and a molecular weight of 331.52 g/mol. Its IUPAC name is (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine
PubChem CID6109527
Molecular FormulaC17H33NO3S
Molecular Weight331.52 g/mol
Exact Mass331.22
IUPAC Name(NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine
SMILESCCCCCS(=O)(=O)C1CCCCCCCCCC/C1=N/O
InChIInChI=1S/C17H33NO3S/c1-2-3-12-15-22(20,21)17-14-11-9-7-5-4-6-8-10-13-16(17)18-19/h17,19H,2-15H2,1H3/b18-16-
InChIKeySXFRUCNJSPEDNX-VLGSPTGOSA-N
XLogP4.70
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine (CID 6109527) is (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine is CCCCCS(=O)(=O)C1CCCCCCCCCC/C1=N/O.
What is the InChIKey of (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine?
The InChIKey is SXFRUCNJSPEDNX-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H33NO3S/c1-2-3-12-15-22(20,21)17-14-11-9-7-5-4-6-8-10-13-16(17)18-19/h17,19H,2-15H2,1H3/b18-16-.
What are the key properties of (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine?
(NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine has a molecular weight of 331.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-pentylsulfonylcyclododecylidene)hydroxylamine is sourced from PubChem (CID 6109527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).