1-(2-sulfanylethyl)-3H-indol-2-one

C10H11NOS — CID 117030099

IUPAC1-(2-sulfanylethyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCS
InChIInChI=1S/C10H11NOS/c12-10-7-8-3-1-2-4-9(8)11(10)5-6-13/h1-4,13H,5-7H2
InChIKeyVSPREUPRNBLSHQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.51
Rot. Bonds2

About 1-(2-sulfanylethyl)-3H-indol-2-one

1-(2-sulfanylethyl)-3H-indol-2-one (PubChem CID 117030099) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(2-sulfanylethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-sulfanylethyl)-3H-indol-2-one
PubChem CID117030099
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name1-(2-sulfanylethyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCS
InChIInChI=1S/C10H11NOS/c12-10-7-8-3-1-2-4-9(8)11(10)5-6-13/h1-4,13H,5-7H2
InChIKeyVSPREUPRNBLSHQ-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
1-(5-aminohexyl)-3H-indol-2-one
CID 114993593
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3H-indol-2-one
CID 118709740
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one
CID 118709739
1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
CID 114993317
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119745257

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylethyl)-3H-indol-2-one?
The IUPAC name of 1-(2-sulfanylethyl)-3H-indol-2-one (CID 117030099) is 1-(2-sulfanylethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(2-sulfanylethyl)-3H-indol-2-one?
The canonical SMILES for 1-(2-sulfanylethyl)-3H-indol-2-one is O=C1Cc2ccccc2N1CCS.
What is the InChIKey of 1-(2-sulfanylethyl)-3H-indol-2-one?
The InChIKey is VSPREUPRNBLSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-10-7-8-3-1-2-4-9(8)11(10)5-6-13/h1-4,13H,5-7H2.
What are the key properties of 1-(2-sulfanylethyl)-3H-indol-2-one?
1-(2-sulfanylethyl)-3H-indol-2-one has a molecular weight of 193.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylethyl)-3H-indol-2-one is sourced from PubChem (CID 117030099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).