CID 174545323

C10H15N2O2S- — CID 174545323

IUPAC—
SMILESCC1Cc2ccccc2N1C.NS(=O)[O-]
InChIInChI=1S/C10H13N.H3NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)2;1-4(2)3/h3-6,8H,7H2,1-2H3;1H2,(H,2,3)/p-1
InChIKeyUFVONKZXOUJHPZ-UHFFFAOYSA-M
MW227.31 g/mol
LogP0.81
Rot. Bonds

About CID 174545323

CID 174545323 (PubChem CID 174545323) has the molecular formula C10H15N2O2S- and a molecular weight of 227.31 g/mol.

Molecular Properties

Compound NameCID 174545323
PubChem CID174545323
Molecular FormulaC10H15N2O2S-
Molecular Weight227.31 g/mol
Exact Mass227.09
IUPAC Name—
SMILESCC1Cc2ccccc2N1C.NS(=O)[O-]
InChIInChI=1S/C10H13N.H3NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)2;1-4(2)3/h3-6,8H,7H2,1-2H3;1H2,(H,2,3)/p-1
InChIKeyUFVONKZXOUJHPZ-UHFFFAOYSA-M
XLogP0.81
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of CID 174545323?
The IUPAC name of CID 174545323 (CID 174545323) is not available.
What is the SMILES notation for CID 174545323?
The canonical SMILES for CID 174545323 is CC1Cc2ccccc2N1C.NS(=O)[O-].
What is the InChIKey of CID 174545323?
The InChIKey is UFVONKZXOUJHPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13N.H3NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)2;1-4(2)3/h3-6,8H,7H2,1-2H3;1H2,(H,2,3)/p-1.
What are the key properties of CID 174545323?
CID 174545323 has a molecular weight of 227.31 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174545323 is sourced from PubChem (CID 174545323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).