2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide

C13H14N2O2S — CID 103708614

IUPAC2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC3CCSC3)ccc2N1
InChIInChI=1S/C13H14N2O2S/c16-12-6-9-5-8(1-2-11(9)15-12)13(17)14-10-3-4-18-7-10/h1-2,5,10H,3-4,6-7H2,(H,14,17)(H,15,16)
InChIKeyJYURGJTVNVHLKJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.42
Rot. Bonds2

About 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide

2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide (PubChem CID 103708614) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide
PubChem CID103708614
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC3CCSC3)ccc2N1
InChIInChI=1S/C13H14N2O2S/c16-12-6-9-5-8(1-2-11(9)15-12)13(17)14-10-3-4-18-7-10/h1-2,5,10H,3-4,6-7H2,(H,14,17)(H,15,16)
InChIKeyJYURGJTVNVHLKJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide
CID 107297840
N-(3-methylcyclobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103720343
2-oxo-N-piperidin-3-yl-1,3-dihydroindole-5-carboxamide
CID 102711516
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851
N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103605870
N-(4,4-dimethylcyclohexyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712432
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712504
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide (CID 103708614) is 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NC3CCSC3)ccc2N1.
What is the InChIKey of 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide?
The InChIKey is JYURGJTVNVHLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-12-6-9-5-8(1-2-11(9)15-12)13(17)14-10-3-4-18-7-10/h1-2,5,10H,3-4,6-7H2,(H,14,17)(H,15,16).
What are the key properties of 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide?
2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 103708614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).