N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine

C20H39NOS — CID 4622270

IUPACN-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCCCCCSC1CCCCCCC1=NO
InChIInChI=1S/C20H39NOS/c1-2-3-4-5-6-7-8-9-12-15-18-23-20-17-14-11-10-13-16-19(20)21-22/h20,22H,2-18H2,1H3
InChIKeyAPXUOWHFSFALLF-UHFFFAOYSA-N
MW341.61 g/mol
LogP7.19
Rot. Bonds12

About N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine

N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine (PubChem CID 4622270) has the molecular formula C20H39NOS and a molecular weight of 341.61 g/mol. Its IUPAC name is N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
PubChem CID4622270
Molecular FormulaC20H39NOS
Molecular Weight341.61 g/mol
Exact Mass341.28
IUPAC NameN-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCCCCCSC1CCCCCCC1=NO
InChIInChI=1S/C20H39NOS/c1-2-3-4-5-6-7-8-9-12-15-18-23-20-17-14-11-10-13-16-19(20)21-22/h20,22H,2-18H2,1H3
InChIKeyAPXUOWHFSFALLF-UHFFFAOYSA-N
XLogP7.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.61
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(NE)-N-(2-methylsulfanylcyclooctylidene)hydroxylamine
CID 12447280
(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035421
2-(Ethylthio)cyclooctanone oxime
CID 9602636
(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine
CID 141118454
N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 3258367
N-(2-decylsulfanylcyclooctylidene)hydroxylamine
CID 3435059
N-(2-cyclohexylsulfanylcyclooctylidene)hydroxylamine
CID 3469218
N-(2-decylsulfonylcyclooctylidene)hydroxylamine
CID 3591161
N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
CID 4058319
N-(2-octylsulfonylcyclooctylidene)hydroxylamine
CID 4402279
N-(2-dodecylsulfanylcyclohexylidene)hydroxylamine
CID 4454955
N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
CID 4532877

Frequently Asked Questions

What is the IUPAC name of N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine?
The IUPAC name of N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine (CID 4622270) is N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine.
What is the SMILES notation for N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine?
The canonical SMILES for N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine is CCCCCCCCCCCCSC1CCCCCCC1=NO.
What is the InChIKey of N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine?
The InChIKey is APXUOWHFSFALLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NOS/c1-2-3-4-5-6-7-8-9-12-15-18-23-20-17-14-11-10-13-16-19(20)21-22/h20,22H,2-18H2,1H3.
What are the key properties of N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine?
N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine has a molecular weight of 341.61 g/mol, XLogP of 7.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 4622270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).