N-(2-decylsulfanylcyclooctylidene)hydroxylamine

C18H35NOS — CID 3435059

IUPACN-(2-decylsulfanylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCCCSC1CCCCCCC1=NO
InChIInChI=1S/C18H35NOS/c1-2-3-4-5-6-7-10-13-16-21-18-15-12-9-8-11-14-17(18)19-20/h18,20H,2-16H2,1H3
InChIKeyPDFALPKBAKEPHY-UHFFFAOYSA-N
MW313.55 g/mol
LogP6.41
Rot. Bonds10

About N-(2-decylsulfanylcyclooctylidene)hydroxylamine

N-(2-decylsulfanylcyclooctylidene)hydroxylamine (PubChem CID 3435059) has the molecular formula C18H35NOS and a molecular weight of 313.55 g/mol. Its IUPAC name is N-(2-decylsulfanylcyclooctylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-decylsulfanylcyclooctylidene)hydroxylamine
PubChem CID3435059
Molecular FormulaC18H35NOS
Molecular Weight313.55 g/mol
Exact Mass313.24
IUPAC NameN-(2-decylsulfanylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCCCSC1CCCCCCC1=NO
InChIInChI=1S/C18H35NOS/c1-2-3-4-5-6-7-10-13-16-21-18-15-12-9-8-11-14-17(18)19-20/h18,20H,2-16H2,1H3
InChIKeyPDFALPKBAKEPHY-UHFFFAOYSA-N
XLogP6.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.55
LogP ≤ 56.41
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-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
N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
CID 4622270

Frequently Asked Questions

What is the IUPAC name of N-(2-decylsulfanylcyclooctylidene)hydroxylamine?
The IUPAC name of N-(2-decylsulfanylcyclooctylidene)hydroxylamine (CID 3435059) is N-(2-decylsulfanylcyclooctylidene)hydroxylamine.
What is the SMILES notation for N-(2-decylsulfanylcyclooctylidene)hydroxylamine?
The canonical SMILES for N-(2-decylsulfanylcyclooctylidene)hydroxylamine is CCCCCCCCCCSC1CCCCCCC1=NO.
What is the InChIKey of N-(2-decylsulfanylcyclooctylidene)hydroxylamine?
The InChIKey is PDFALPKBAKEPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NOS/c1-2-3-4-5-6-7-10-13-16-21-18-15-12-9-8-11-14-17(18)19-20/h18,20H,2-16H2,1H3.
What are the key properties of N-(2-decylsulfanylcyclooctylidene)hydroxylamine?
N-(2-decylsulfanylcyclooctylidene)hydroxylamine has a molecular weight of 313.55 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-decylsulfanylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 3435059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).