CID 23353177

C4H11N2O3S- — CID 23353177

IUPAC—
SMILESC1COCCN1.NS(=O)[O-]
InChIInChI=1S/C4H9NO.H3NO2S/c1-3-6-4-2-5-1;1-4(2)3/h5H,1-4H2;1H2,(H,2,3)/p-1
InChIKeyQXZXDSPZLZNHPH-UHFFFAOYSA-M
MW167.21 g/mol
LogP-1.65
Rot. Bonds

About CID 23353177

CID 23353177 (PubChem CID 23353177) has the molecular formula C4H11N2O3S- and a molecular weight of 167.21 g/mol.

Molecular Properties

Compound NameCID 23353177
PubChem CID23353177
Molecular FormulaC4H11N2O3S-
Molecular Weight167.21 g/mol
Exact Mass167.05
IUPAC Name—
SMILESC1COCCN1.NS(=O)[O-]
InChIInChI=1S/C4H9NO.H3NO2S/c1-3-6-4-2-5-1;1-4(2)3/h5H,1-4H2;1H2,(H,2,3)/p-1
InChIKeyQXZXDSPZLZNHPH-UHFFFAOYSA-M
XLogP-1.65
TPSA87.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 23353177?
The IUPAC name of CID 23353177 (CID 23353177) is not available.
What is the SMILES notation for CID 23353177?
The canonical SMILES for CID 23353177 is C1COCCN1.NS(=O)[O-].
What is the InChIKey of CID 23353177?
The InChIKey is QXZXDSPZLZNHPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO.H3NO2S/c1-3-6-4-2-5-1;1-4(2)3/h5H,1-4H2;1H2,(H,2,3)/p-1.
What are the key properties of CID 23353177?
CID 23353177 has a molecular weight of 167.21 g/mol, XLogP of -1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23353177 is sourced from PubChem (CID 23353177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).