(NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine

C20H39NOS — CID 6166668

IUPAC(NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCCCCCSC1CCCCCC/C1=N\O
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/b21-19+
InChIKeyAPXUOWHFSFALLF-XUTLUUPISA-N
MW341.61 g/mol
LogP7.19
Rot. Bonds12

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

(NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine (PubChem CID 6166668) has the molecular formula C20H39NOS and a molecular weight of 341.61 g/mol. Its IUPAC name is (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
PubChem CID6166668
Molecular FormulaC20H39NOS
Molecular Weight341.61 g/mol
Exact Mass341.28
IUPAC Name(NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCCCCCSC1CCCCCC/C1=N\O
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/b21-19+
InChIKeyAPXUOWHFSFALLF-XUTLUUPISA-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'}

Analyze (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12447280
CID 12447280
CID 135035421
CID 135035421
CID 9602636
CID 9602636
CID 141118454
CID 141118454
CID 3258367
CID 3258367
CID 3435059
CID 3435059
CID 3469218
CID 3469218
CID 3591161
CID 3591161
CID 4058319
CID 4058319
CID 4402279
CID 4402279
CID 4454955
CID 4454955
CID 4532877
CID 4532877

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine (CID 6166668) is (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine is CCCCCCCCCCCCSC1CCCCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine?
The InChIKey is APXUOWHFSFALLF-XUTLUUPISA-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/b21-19+.
What are the key properties of (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine?
(NE)-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 (NE)-N-(2-dodecylsulfanylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 6166668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).