(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine

C13H25NOS — CID 141118454

IUPAC(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine
SMILESCSC1CCCCCCCCCC/C1=N\O
InChIInChI=1S/C13H25NOS/c1-16-13-11-9-7-5-3-2-4-6-8-10-12(13)14-15/h13,15H,2-11H2,1H3/b14-12+
InChIKeyQVJVRAOEYSLJAV-WYMLVPIESA-N
MW243.42 g/mol
LogP4.46
Rot. Bonds1

About (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine

(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine (PubChem CID 141118454) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine
PubChem CID141118454
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine
SMILESCSC1CCCCCCCCCC/C1=N\O
InChIInChI=1S/C13H25NOS/c1-16-13-11-9-7-5-3-2-4-6-8-10-12(13)14-15/h13,15H,2-11H2,1H3/b14-12+
InChIKeyQVJVRAOEYSLJAV-WYMLVPIESA-N
XLogP4.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

8-Methylthiooctanaldoxime
CID 25010745
9-Methylthiononanaldoxime
CID 25010752
8-(Methylsulfanyl)octanal oxime
CID 74388157
9-(Methylsulfanyl)nonanal oxime
CID 74388159
(NE)-N-(2-methylsulfanylcyclooctylidene)hydroxylamine
CID 12447280
(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035421
2-(Ethylthio)cyclooctanone oxime
CID 9602636
N-(1-methylsulfanylpentan-2-ylidene)hydroxylamine
CID 73796144
(NZ)-N-(5-methylsulfanylpentan-2-ylidene)hydroxylamine
CID 145519335
N-[3-(ethylsulfanylmethylsulfanyl)undecan-2-ylidene]hydroxylamine
CID 173356519
methane;N-(2-sulfanylcyclododecylidene)hydroxylamine
CID 174504939
N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 3258367

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine (CID 141118454) is (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine is CSC1CCCCCCCCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine?
The InChIKey is QVJVRAOEYSLJAV-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25NOS/c1-16-13-11-9-7-5-3-2-4-6-8-10-12(13)14-15/h13,15H,2-11H2,1H3/b14-12+.
What are the key properties of (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine?
(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine has a molecular weight of 243.42 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine is sourced from PubChem (CID 141118454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).