CID 89392401

C3H9N2O2S- — CID 89392401

IUPAC—
SMILESC1CNC1.NS(=O)[O-]
InChIInChI=1S/C3H7N.H3NO2S/c1-2-4-3-1;1-4(2)3/h4H,1-3H2;1H2,(H,2,3)/p-1
InChIKeyRZWOGHYKNNXKOK-UHFFFAOYSA-M
MW137.18 g/mol
LogP-1.28
Rot. Bonds

About CID 89392401

CID 89392401 (PubChem CID 89392401) has the molecular formula C3H9N2O2S- and a molecular weight of 137.18 g/mol.

Molecular Properties

Compound NameCID 89392401
PubChem CID89392401
Molecular FormulaC3H9N2O2S-
Molecular Weight137.18 g/mol
Exact Mass137.04
IUPAC Name—
SMILESC1CNC1.NS(=O)[O-]
InChIInChI=1S/C3H7N.H3NO2S/c1-2-4-3-1;1-4(2)3/h4H,1-3H2;1H2,(H,2,3)/p-1
InChIKeyRZWOGHYKNNXKOK-UHFFFAOYSA-M
XLogP-1.28
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89392401?
The IUPAC name of CID 89392401 (CID 89392401) is not available.
What is the SMILES notation for CID 89392401?
The canonical SMILES for CID 89392401 is C1CNC1.NS(=O)[O-].
What is the InChIKey of CID 89392401?
The InChIKey is RZWOGHYKNNXKOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7N.H3NO2S/c1-2-4-3-1;1-4(2)3/h4H,1-3H2;1H2,(H,2,3)/p-1.
What are the key properties of CID 89392401?
CID 89392401 has a molecular weight of 137.18 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89392401 is sourced from PubChem (CID 89392401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).