oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium

C9H8NO2S+ — CID 175320984

IUPACoxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
SMILESO=[S+]CC1C(=O)Nc2ccccc21
InChIInChI=1S/C9H7NO2S/c11-9-7(5-13-12)6-3-1-2-4-8(6)10-9/h1-4,7H,5H2/p+1
InChIKeyGVMZXBWSIISLRI-UHFFFAOYSA-O
MW194.23 g/mol
LogP1.15
Rot. Bonds2

About oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium

oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium (PubChem CID 175320984) has the molecular formula C9H8NO2S+ and a molecular weight of 194.23 g/mol. Its IUPAC name is oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium.

Molecular Properties

Compound Nameoxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
PubChem CID175320984
Molecular FormulaC9H8NO2S+
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Nameoxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
SMILESO=[S+]CC1C(=O)Nc2ccccc21
InChIInChI=1S/C9H7NO2S/c11-9-7(5-13-12)6-3-1-2-4-8(6)10-9/h1-4,7H,5H2/p+1
InChIKeyGVMZXBWSIISLRI-UHFFFAOYSA-O
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
CID 22380583
3-(2-oxo-1,3-dihydroindol-3-yl)propanal
CID 86190152
3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 70440034
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 2803153
3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912315
3-(2-methylpentyl)-1,3-dihydroindol-2-one
CID 106986975
(3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 26367509
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one
CID 23612653

Frequently Asked Questions

What is the IUPAC name of oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium?
The IUPAC name of oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium (CID 175320984) is oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium.
What is the SMILES notation for oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium?
The canonical SMILES for oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium is O=[S+]CC1C(=O)Nc2ccccc21.
What is the InChIKey of oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium?
The InChIKey is GVMZXBWSIISLRI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7NO2S/c11-9-7(5-13-12)6-3-1-2-4-8(6)10-9/h1-4,7H,5H2/p+1.
What are the key properties of oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium?
oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium has a molecular weight of 194.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium is sourced from PubChem (CID 175320984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).