(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine

C5H11NO2S — CID 5367981

IUPAC(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine
SMILESCS(=O)C(C)(C)/C=N\O
InChIInChI=1S/C5H11NO2S/c1-5(2,4-6-7)9(3)8/h4,7H,1-3H3/b6-4-
InChIKeyMREKWRXNZRZCQH-XQRVVYSFSA-N
MW149.22 g/mol
LogP0.60
Rot. Bonds2

About (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine

(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine (PubChem CID 5367981) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine
PubChem CID5367981
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine
SMILESCS(=O)C(C)(C)/C=N\O
InChIInChI=1S/C5H11NO2S/c1-5(2,4-6-7)9(3)8/h4,7H,1-3H3/b6-4-
InChIKeyMREKWRXNZRZCQH-XQRVVYSFSA-N
XLogP0.60
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.60
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'}

Analyze (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)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 (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine (CID 5367981) is (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine is CS(=O)C(C)(C)/C=N\O.
What is the InChIKey of (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine?
The InChIKey is MREKWRXNZRZCQH-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(2,4-6-7)9(3)8/h4,7H,1-3H3/b6-4-.
What are the key properties of (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine?
(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine has a molecular weight of 149.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine is sourced from PubChem (CID 5367981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).