N-(2-decylsulfonylcyclooctylidene)hydroxylamine

C18H35NO3S — CID 3591161

IUPACN-(2-decylsulfonylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCCCS(=O)(=O)C1CCCCCCC1=NO
InChIInChI=1S/C18H35NO3S/c1-2-3-4-5-6-7-10-13-16-23(21,22)18-15-12-9-8-11-14-17(18)19-20/h18,20H,2-16H2,1H3
InChIKeyWUZBPVSKZYLMRR-UHFFFAOYSA-N
MW345.55 g/mol
LogP5.09
Rot. Bonds10

About N-(2-decylsulfonylcyclooctylidene)hydroxylamine

N-(2-decylsulfonylcyclooctylidene)hydroxylamine (PubChem CID 3591161) has the molecular formula C18H35NO3S and a molecular weight of 345.55 g/mol. Its IUPAC name is N-(2-decylsulfonylcyclooctylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-decylsulfonylcyclooctylidene)hydroxylamine
PubChem CID3591161
Molecular FormulaC18H35NO3S
Molecular Weight345.55 g/mol
Exact Mass345.23
IUPAC NameN-(2-decylsulfonylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCCCS(=O)(=O)C1CCCCCCC1=NO
InChIInChI=1S/C18H35NO3S/c1-2-3-4-5-6-7-10-13-16-23(21,22)18-15-12-9-8-11-14-17(18)19-20/h18,20H,2-16H2,1H3
InChIKeyWUZBPVSKZYLMRR-UHFFFAOYSA-N
XLogP5.09
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.55
LogP ≤ 55.09
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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Related Compounds

N-(2-cyclohexylsulfonylcyclooctylidene)hydroxylamine
CID 3431602
N-(2-decylsulfanylcyclooctylidene)hydroxylamine
CID 3435059
N-(2-octylsulfonylcyclooctylidene)hydroxylamine
CID 4402279
N-(2-pentylsulfonylcyclododecylidene)hydroxylamine
CID 4434595
N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
CID 4622270
N-(2-octylsulfanylcyclooctylidene)hydroxylamine
CID 5152145
2-(Cyclohexylsulfonyl)-1-(hydroxyimino)cyclooctane
CID 5824434
2-Decylthio-1-(hydroxyimino)cyclooctane
CID 5825360
2-(Decylsulfonyl)-1-(hydroxyimino)cyclooctane
CID 5869399
1-(Hydroxyimino)-2-(octylsulfonyl)cyclooctane
CID 6091093
1-(Hydroxyimino)-2-(pentylsulfonyl)cyclododecane
CID 6109527
2-Dodecylthio-1-(hydroxyimino)cyclooctane
CID 6166668

Frequently Asked Questions

What is the IUPAC name of N-(2-decylsulfonylcyclooctylidene)hydroxylamine?
The IUPAC name of N-(2-decylsulfonylcyclooctylidene)hydroxylamine (CID 3591161) is N-(2-decylsulfonylcyclooctylidene)hydroxylamine.
What is the SMILES notation for N-(2-decylsulfonylcyclooctylidene)hydroxylamine?
The canonical SMILES for N-(2-decylsulfonylcyclooctylidene)hydroxylamine is CCCCCCCCCCS(=O)(=O)C1CCCCCCC1=NO.
What is the InChIKey of N-(2-decylsulfonylcyclooctylidene)hydroxylamine?
The InChIKey is WUZBPVSKZYLMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3S/c1-2-3-4-5-6-7-10-13-16-23(21,22)18-15-12-9-8-11-14-17(18)19-20/h18,20H,2-16H2,1H3.
What are the key properties of N-(2-decylsulfonylcyclooctylidene)hydroxylamine?
N-(2-decylsulfonylcyclooctylidene)hydroxylamine has a molecular weight of 345.55 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-decylsulfonylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 3591161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).