3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide

C11H12N2OS — CID 5328590

IUPAC3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide
SMILESNC(=O)CCC1C(=S)Nc2ccccc21
InChIInChI=1S/C11H12N2OS/c12-10(14)6-5-8-7-3-1-2-4-9(7)13-11(8)15/h1-4,8H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyHNVREGXKMXLVDH-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.79
Rot. Bonds3

About 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide

3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide (PubChem CID 5328590) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide
PubChem CID5328590
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide
SMILESNC(=O)CCC1C(=S)Nc2ccccc21
InChIInChI=1S/C11H12N2OS/c12-10(14)6-5-8-7-3-1-2-4-9(7)13-11(8)15/h1-4,8H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyHNVREGXKMXLVDH-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxindole
CID 321710
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
3-Methyloxindole
CID 150923
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-Phenyl-oxindole
CID 317527
1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
CID 5328618
3-Ethylideneindolin-2-one
CID 12331358
6-fluoro-2,3-dihydro-1H-indol-2-one
CID 3731013
3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 4461489

Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide?
The IUPAC name of 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide (CID 5328590) is 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide.
What is the SMILES notation for 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide?
The canonical SMILES for 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide is NC(=O)CCC1C(=S)Nc2ccccc21.
What is the InChIKey of 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide?
The InChIKey is HNVREGXKMXLVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-10(14)6-5-8-7-3-1-2-4-9(7)13-11(8)15/h1-4,8H,5-6H2,(H2,12,14)(H,13,15).
What are the key properties of 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide?
3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide has a molecular weight of 220.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanamide is sourced from PubChem (CID 5328590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).