5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one

C10H12N2OS — CID 115223650

IUPAC5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCCS)ccc2N1
InChIInChI=1S/C10H12N2OS/c13-10-6-7-5-8(11-3-4-14)1-2-9(7)12-10/h1-2,5,11,14H,3-4,6H2,(H,12,13)
InChIKeyKLDJXFVOEQMERX-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.52
Rot. Bonds3

About 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one

5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one (PubChem CID 115223650) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
PubChem CID115223650
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCCS)ccc2N1
InChIInChI=1S/C10H12N2OS/c13-10-6-7-5-8(11-3-4-14)1-2-9(7)12-10/h1-2,5,11,14H,3-4,6H2,(H,12,13)
InChIKeyKLDJXFVOEQMERX-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one
CID 115210113
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
CID 115119380
5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
CID 115252675
5-(morpholin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 115237456
2-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 41342532
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one
CID 10293201
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106

Frequently Asked Questions

What is the IUPAC name of 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one (CID 115223650) is 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one is O=C1Cc2cc(NCCS)ccc2N1.
What is the InChIKey of 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is KLDJXFVOEQMERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-10-6-7-5-8(11-3-4-14)1-2-9(7)12-10/h1-2,5,11,14H,3-4,6H2,(H,12,13).
What are the key properties of 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one?
5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 208.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 115223650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).