CID 22052619

C5H13N2O2S- — CID 22052619

IUPAC—
SMILESC1CCNCC1.NS(=O)[O-]
InChIInChI=1S/C5H11N.H3NO2S/c1-2-4-6-5-3-1;1-4(2)3/h6H,1-5H2;1H2,(H,2,3)/p-1
InChIKeyGKEPQLYYEHSMPS-UHFFFAOYSA-M
MW165.24 g/mol
LogP-0.50
Rot. Bonds

About CID 22052619

CID 22052619 (PubChem CID 22052619) has the molecular formula C5H13N2O2S- and a molecular weight of 165.24 g/mol.

Molecular Properties

Compound NameCID 22052619
PubChem CID22052619
Molecular FormulaC5H13N2O2S-
Molecular Weight165.24 g/mol
Exact Mass165.07
IUPAC Name—
SMILESC1CCNCC1.NS(=O)[O-]
InChIInChI=1S/C5H11N.H3NO2S/c1-2-4-6-5-3-1;1-4(2)3/h6H,1-5H2;1H2,(H,2,3)/p-1
InChIKeyGKEPQLYYEHSMPS-UHFFFAOYSA-M
XLogP-0.50
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-0.50
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 22052619?
The IUPAC name of CID 22052619 (CID 22052619) is not available.
What is the SMILES notation for CID 22052619?
The canonical SMILES for CID 22052619 is C1CCNCC1.NS(=O)[O-].
What is the InChIKey of CID 22052619?
The InChIKey is GKEPQLYYEHSMPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11N.H3NO2S/c1-2-4-6-5-3-1;1-4(2)3/h6H,1-5H2;1H2,(H,2,3)/p-1.
What are the key properties of CID 22052619?
CID 22052619 has a molecular weight of 165.24 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22052619 is sourced from PubChem (CID 22052619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).