(NE)-N-(4-methylsulfanylbutylidene)hydroxylamine

C5H11NOS — CID 25010747

IUPAC(NE)-N-(4-methylsulfanylbutylidene)hydroxylamine
SMILESCSCCC/C=N/O
InChIInChI=1S/C5H11NOS/c1-8-5-3-2-4-6-7/h4,7H,2-3,5H2,1H3/b6-4+
InChIKeyDNYWTMVKWUGHCB-GQCTYLIASA-N
MW133.22 g/mol
LogP1.59
Rot. Bonds4

About (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine

(NE)-N-(4-methylsulfanylbutylidene)hydroxylamine (PubChem CID 25010747) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-methylsulfanylbutylidene)hydroxylamine
PubChem CID25010747
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(NE)-N-(4-methylsulfanylbutylidene)hydroxylamine
SMILESCSCCC/C=N/O
InChIInChI=1S/C5H11NOS/c1-8-5-3-2-4-6-7/h4,7H,2-3,5H2,1H3/b6-4+
InChIKeyDNYWTMVKWUGHCB-GQCTYLIASA-N
XLogP1.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 51.59
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-(4-methylsulfanylbutylidene)hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine (CID 25010747) is (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine is CSCCC/C=N/O.
What is the InChIKey of (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine?
The InChIKey is DNYWTMVKWUGHCB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NOS/c1-8-5-3-2-4-6-7/h4,7H,2-3,5H2,1H3/b6-4+.
What are the key properties of (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine?
(NE)-N-(4-methylsulfanylbutylidene)hydroxylamine has a molecular weight of 133.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine is sourced from PubChem (CID 25010747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).