3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one

C16H17N3OS — CID 61434716

IUPAC3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N(Cc3ccsc3)C3CC3)ccc21
InChIInChI=1S/C16H17N3OS/c17-15-13-4-3-12(7-14(13)18-16(15)20)19(11-1-2-11)8-10-5-6-21-9-10/h3-7,9,11,15H,1-2,8,17H2,(H,18,20)
InChIKeyYAQGPTAOWHRMHE-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.87
Rot. Bonds4

About 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one

3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 61434716) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one
PubChem CID61434716
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N(Cc3ccsc3)C3CC3)ccc21
InChIInChI=1S/C16H17N3OS/c17-15-13-4-3-12(7-14(13)18-16(15)20)19(11-1-2-11)8-10-5-6-21-9-10/h3-7,9,11,15H,1-2,8,17H2,(H,18,20)
InChIKeyYAQGPTAOWHRMHE-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one (CID 61434716) is 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(N(Cc3ccsc3)C3CC3)ccc21.
What is the InChIKey of 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is YAQGPTAOWHRMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-15-13-4-3-12(7-14(13)18-16(15)20)19(11-1-2-11)8-10-5-6-21-9-10/h3-7,9,11,15H,1-2,8,17H2,(H,18,20).
What are the key properties of 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one?
3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 299.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61434716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).