5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one

C14H20N4OS — CID 106324761

IUPAC5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCN1CCSCC1)NC(=O)C2
InChIInChI=1S/C14H20N4OS/c15-11-7-10-8-14(19)17-12(10)9-13(11)16-1-2-18-3-5-20-6-4-18/h7,9,16H,1-6,8,15H2,(H,17,19)
InChIKeyBOIQWQWGPIBCRX-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.22
Rot. Bonds4

About 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one

5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one (PubChem CID 106324761) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one
PubChem CID106324761
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCN1CCSCC1)NC(=O)C2
InChIInChI=1S/C14H20N4OS/c15-11-7-10-8-14(19)17-12(10)9-13(11)16-1-2-18-3-5-20-6-4-18/h7,9,16H,1-6,8,15H2,(H,17,19)
InChIKeyBOIQWQWGPIBCRX-UHFFFAOYSA-N
XLogP1.22
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
CID 61240190
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
CID 60905011
5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one (CID 106324761) is 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCCN1CCSCC1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is BOIQWQWGPIBCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c15-11-7-10-8-14(19)17-12(10)9-13(11)16-1-2-18-3-5-20-6-4-18/h7,9,16H,1-6,8,15H2,(H,17,19).
What are the key properties of 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one?
5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 292.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106324761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).