(3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one

C12H10N2OS — CID 125448883

IUPAC(3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one
SMILESN[C@@H]1C(=O)Nc2ccc(-c3cccs3)cc21
InChIInChI=1S/C12H10N2OS/c13-11-8-6-7(10-2-1-5-16-10)3-4-9(8)14-12(11)15/h1-6,11H,13H2,(H,14,15)/t11-/m0/s1
InChIKeyGUIXTNPGMYWPHY-NSHDSACASA-N
MW230.29 g/mol
LogP2.37
Rot. Bonds1

About (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one

(3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one (PubChem CID 125448883) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one
PubChem CID125448883
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name(3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one
SMILESN[C@@H]1C(=O)Nc2ccc(-c3cccs3)cc21
InChIInChI=1S/C12H10N2OS/c13-11-8-6-7(10-2-1-5-16-10)3-4-9(8)14-12(11)15/h1-6,11H,13H2,(H,14,15)/t11-/m0/s1
InChIKeyGUIXTNPGMYWPHY-NSHDSACASA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one (CID 125448883) is (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one is N[C@@H]1C(=O)Nc2ccc(-c3cccs3)cc21.
What is the InChIKey of (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one?
The InChIKey is GUIXTNPGMYWPHY-NSHDSACASA-N. The full InChI is InChI=1S/C12H10N2OS/c13-11-8-6-7(10-2-1-5-16-10)3-4-9(8)14-12(11)15/h1-6,11H,13H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one?
(3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one has a molecular weight of 230.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 125448883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).