ethylaminomethyl sulfite

C3H8NO3S- — CID 174260008

IUPACethylaminomethyl sulfite
SMILESCCNCOS(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-2-4-3-7-8(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyLPRUYSADAGUQGB-UHFFFAOYSA-M
MW138.17 g/mol
LogP-0.64
Rot. Bonds4

About ethylaminomethyl sulfite

ethylaminomethyl sulfite (PubChem CID 174260008) has the molecular formula C3H8NO3S- and a molecular weight of 138.17 g/mol. Its IUPAC name is ethylaminomethyl sulfite.

Molecular Properties

Compound Nameethylaminomethyl sulfite
PubChem CID174260008
Molecular FormulaC3H8NO3S-
Molecular Weight138.17 g/mol
Exact Mass138.02
IUPAC Nameethylaminomethyl sulfite
SMILESCCNCOS(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-2-4-3-7-8(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyLPRUYSADAGUQGB-UHFFFAOYSA-M
XLogP-0.64
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze ethylaminomethyl 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 ethylaminomethyl sulfite?
The IUPAC name of ethylaminomethyl sulfite (CID 174260008) is ethylaminomethyl sulfite.
What is the SMILES notation for ethylaminomethyl sulfite?
The canonical SMILES for ethylaminomethyl sulfite is CCNCOS(=O)[O-].
What is the InChIKey of ethylaminomethyl sulfite?
The InChIKey is LPRUYSADAGUQGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO3S/c1-2-4-3-7-8(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1.
What are the key properties of ethylaminomethyl sulfite?
ethylaminomethyl sulfite has a molecular weight of 138.17 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminomethyl sulfite is sourced from PubChem (CID 174260008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).