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

C14H27NOS2 — CID 4532877

IUPACN-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
SMILESCCCCSCCSC1CCCCCCC1=NO
InChIInChI=1S/C14H27NOS2/c1-2-3-10-17-11-12-18-14-9-7-5-4-6-8-13(14)15-16/h14,16H,2-12H2,1H3
InChIKeyPFAXDXMDYWZDGM-UHFFFAOYSA-N
MW289.51 g/mol
LogP4.81
Rot. Bonds7

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

N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine (PubChem CID 4532877) has the molecular formula C14H27NOS2 and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
PubChem CID4532877
Molecular FormulaC14H27NOS2
Molecular Weight289.51 g/mol
Exact Mass289.15
IUPAC NameN-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
SMILESCCCCSCCSC1CCCCCCC1=NO
InChIInChI=1S/C14H27NOS2/c1-2-3-10-17-11-12-18-14-9-7-5-4-6-8-13(14)15-16/h14,16H,2-12H2,1H3
InChIKeyPFAXDXMDYWZDGM-UHFFFAOYSA-N
XLogP4.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.51
LogP ≤ 54.81
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-[3-(2-hexylsulfanylethylsulfanyl)-3-methylbutan-2-ylidene]hydroxylamine
CID 3615202
N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
CID 4058319
N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
CID 4622270
N-(2-octylsulfanylcyclooctylidene)hydroxylamine
CID 5152145

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine?
The IUPAC name of N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine (CID 4532877) is N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine.
What is the SMILES notation for N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine?
The canonical SMILES for N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine is CCCCSCCSC1CCCCCCC1=NO.
What is the InChIKey of N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine?
The InChIKey is PFAXDXMDYWZDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS2/c1-2-3-10-17-11-12-18-14-9-7-5-4-6-8-13(14)15-16/h14,16H,2-12H2,1H3.
What are the key properties of N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine?
N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine has a molecular weight of 289.51 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine is sourced from PubChem (CID 4532877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).