[chloro(methyl)amino] hydrogen sulfite

CH4ClNO3S — CID 174639772

IUPAC[chloro(methyl)amino] hydrogen sulfite
SMILESCN(Cl)OS(=O)O
InChIInChI=1S/CH4ClNO3S/c1-3(2)6-7(4)5/h1H3,(H,4,5)
InChIKeyJQNNDSXMOSXXCN-UHFFFAOYSA-N
MW145.57 g/mol
LogP0.14
Rot. Bonds2

About [chloro(methyl)amino] hydrogen sulfite

[chloro(methyl)amino] hydrogen sulfite (PubChem CID 174639772) has the molecular formula CH4ClNO3S and a molecular weight of 145.57 g/mol. Its IUPAC name is [chloro(methyl)amino] hydrogen sulfite.

Molecular Properties

Compound Name[chloro(methyl)amino] hydrogen sulfite
PubChem CID174639772
Molecular FormulaCH4ClNO3S
Molecular Weight145.57 g/mol
Exact Mass144.96
IUPAC Name[chloro(methyl)amino] hydrogen sulfite
SMILESCN(Cl)OS(=O)O
InChIInChI=1S/CH4ClNO3S/c1-3(2)6-7(4)5/h1H3,(H,4,5)
InChIKeyJQNNDSXMOSXXCN-UHFFFAOYSA-N
XLogP0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.57
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze [chloro(methyl)amino] hydrogen sulfite 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 [chloro(methyl)amino] hydrogen sulfite?
The IUPAC name of [chloro(methyl)amino] hydrogen sulfite (CID 174639772) is [chloro(methyl)amino] hydrogen sulfite.
What is the SMILES notation for [chloro(methyl)amino] hydrogen sulfite?
The canonical SMILES for [chloro(methyl)amino] hydrogen sulfite is CN(Cl)OS(=O)O.
What is the InChIKey of [chloro(methyl)amino] hydrogen sulfite?
The InChIKey is JQNNDSXMOSXXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4ClNO3S/c1-3(2)6-7(4)5/h1H3,(H,4,5).
What are the key properties of [chloro(methyl)amino] hydrogen sulfite?
[chloro(methyl)amino] hydrogen sulfite has a molecular weight of 145.57 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(methyl)amino] hydrogen sulfite is sourced from PubChem (CID 174639772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).