(NE)-N-(8-methylsulfanyloctylidene)hydroxylamine

C9H19NOS — CID 25010745

IUPAC(NE)-N-(8-methylsulfanyloctylidene)hydroxylamine
SMILESCSCCCCCCC/C=N/O
InChIInChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3/b10-8+
InChIKeyXKNUDVRSFJJTNT-CSKARUKUSA-N
MW189.32 g/mol
LogP3.15
Rot. Bonds8

About (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine

(NE)-N-(8-methylsulfanyloctylidene)hydroxylamine (PubChem CID 25010745) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(8-methylsulfanyloctylidene)hydroxylamine
PubChem CID25010745
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(NE)-N-(8-methylsulfanyloctylidene)hydroxylamine
SMILESCSCCCCCCC/C=N/O
InChIInChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3/b10-8+
InChIKeyXKNUDVRSFJJTNT-CSKARUKUSA-N
XLogP3.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.15
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-(8-methylsulfanyloctylidene)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

(E)-6-(methylsulfanyl)hexanal oxime
CID 25010756
(E)-5-(methylsulfanyl)pentanal oxime
CID 25010757
6-(Methylsulfanyl)hexanal oxime
CID 74388161
5-(Methylthio)pentanal oxime
CID 74388162
9-Methylthiononanaldoxime
CID 25010752
8-(Methylsulfanyl)octanal oxime
CID 74388157
9-(Methylsulfanyl)nonanal oxime
CID 74388159
7-(Methylsulfanyl)heptanal oxime
CID 25010753
1-(Methylsulfanyl)-8-aci-nitrooctane
CID 123131560
1-(Methylsulfanyl)-9-aci-nitrononane
CID 123131533
1-(Methylsulfanyl)-6-aci-nitrohexane
CID 123131543
1-(Methylsulfanyl)-7-aci-nitroheptane
CID 123131559

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine?
The IUPAC name of (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine (CID 25010745) is (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine is CSCCCCCCC/C=N/O.
What is the InChIKey of (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine?
The InChIKey is XKNUDVRSFJJTNT-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3/b10-8+.
What are the key properties of (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine?
(NE)-N-(8-methylsulfanyloctylidene)hydroxylamine has a molecular weight of 189.32 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(8-methylsulfanyloctylidene)hydroxylamine is sourced from PubChem (CID 25010745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).