2-[(2-amino-2-oxoethyl)amino]ethyl sulfite

C4H9N2O4S- — CID 91068123

IUPAC2-[(2-amino-2-oxoethyl)amino]ethyl sulfite
SMILESNC(=O)CNCCOS(=O)[O-]
InChIInChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-10-11(8)9/h6H,1-3H2,(H2,5,7)(H,8,9)/p-1
InChIKeyIGTNGPIKWFREFZ-UHFFFAOYSA-M
MW181.19 g/mol
LogP-2.13
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite

2-[(2-amino-2-oxoethyl)amino]ethyl sulfite (PubChem CID 91068123) has the molecular formula C4H9N2O4S- and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)amino]ethyl sulfite
PubChem CID91068123
Molecular FormulaC4H9N2O4S-
Molecular Weight181.19 g/mol
Exact Mass181.03
IUPAC Name2-[(2-amino-2-oxoethyl)amino]ethyl sulfite
SMILESNC(=O)CNCCOS(=O)[O-]
InChIInChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-10-11(8)9/h6H,1-3H2,(H2,5,7)(H,8,9)/p-1
InChIKeyIGTNGPIKWFREFZ-UHFFFAOYSA-M
XLogP-2.13
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite?
The IUPAC name of 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite (CID 91068123) is 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite is NC(=O)CNCCOS(=O)[O-].
What is the InChIKey of 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite?
The InChIKey is IGTNGPIKWFREFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-10-11(8)9/h6H,1-3H2,(H2,5,7)(H,8,9)/p-1.
What are the key properties of 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite?
2-[(2-amino-2-oxoethyl)amino]ethyl sulfite has a molecular weight of 181.19 g/mol, XLogP of -2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)amino]ethyl sulfite is sourced from PubChem (CID 91068123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).