N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine

C16H31NOS2 — CID 4058319

IUPACN-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
SMILESCCCCCCSCCSC1CCCCCCC1=NO
InChIInChI=1S/C16H31NOS2/c1-2-3-4-9-12-19-13-14-20-16-11-8-6-5-7-10-15(16)17-18/h16,18H,2-14H2,1H3
InChIKeyYWBVMKNCEXJOLB-UHFFFAOYSA-N
MW317.56 g/mol
LogP5.59
Rot. Bonds9

About N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine

N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine (PubChem CID 4058319) has the molecular formula C16H31NOS2 and a molecular weight of 317.56 g/mol. Its IUPAC name is N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
PubChem CID4058319
Molecular FormulaC16H31NOS2
Molecular Weight317.56 g/mol
Exact Mass317.18
IUPAC NameN-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
SMILESCCCCCCSCCSC1CCCCCCC1=NO
InChIInChI=1S/C16H31NOS2/c1-2-3-4-9-12-19-13-14-20-16-11-8-6-5-7-10-15(16)17-18/h16,18H,2-14H2,1H3
InChIKeyYWBVMKNCEXJOLB-UHFFFAOYSA-N
XLogP5.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 55.59
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

(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-(ethylsulfanylmethylsulfanyl)undecan-2-ylidene]hydroxylamine
CID 173356519
N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 3258367
N-(2-decylsulfanylcyclooctylidene)hydroxylamine
CID 3435059
N-(2-cyclohexylsulfanylcyclooctylidene)hydroxylamine
CID 3469218
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-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine?
The IUPAC name of N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine (CID 4058319) is N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine.
What is the SMILES notation for N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine?
The canonical SMILES for N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine is CCCCCCSCCSC1CCCCCCC1=NO.
What is the InChIKey of N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine?
The InChIKey is YWBVMKNCEXJOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS2/c1-2-3-4-9-12-19-13-14-20-16-11-8-6-5-7-10-15(16)17-18/h16,18H,2-14H2,1H3.
What are the key properties of N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine?
N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine has a molecular weight of 317.56 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine is sourced from PubChem (CID 4058319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).