5-thiomorpholin-3-yl-1,3-dihydroindol-2-one

C12H14N2OS — CID 82290766

IUPAC5-thiomorpholin-3-yl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C3CSCCN3)ccc2N1
InChIInChI=1S/C12H14N2OS/c15-12-6-9-5-8(1-2-10(9)14-12)11-7-16-4-3-13-11/h1-2,5,11,13H,3-4,6-7H2,(H,14,15)
InChIKeyHZHYUBHQXYYZST-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.56
Rot. Bonds1

About 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one

5-thiomorpholin-3-yl-1,3-dihydroindol-2-one (PubChem CID 82290766) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-thiomorpholin-3-yl-1,3-dihydroindol-2-one
PubChem CID82290766
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-thiomorpholin-3-yl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C3CSCCN3)ccc2N1
InChIInChI=1S/C12H14N2OS/c15-12-6-9-5-8(1-2-10(9)14-12)11-7-16-4-3-13-11/h1-2,5,11,13H,3-4,6-7H2,(H,14,15)
InChIKeyHZHYUBHQXYYZST-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one
CID 82289120
5-cyclopentyl-1,3-dihydroindol-2-one
CID 23363851
6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82468625
5-(2-methylmorpholin-3-yl)-1,3-dihydroindol-2-one
CID 82289606
5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one
CID 116980989
3-(3,4-dichlorophenyl)-1,4-thiazepane
CID 66219260
2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide
CID 103708614
2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide
CID 107297840
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
3-naphthalen-2-yl-1,4-thiazepane
CID 66217047
3-pyridin-3-ylthiomorpholine
CID 3873279
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941

Frequently Asked Questions

What is the IUPAC name of 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one (CID 82290766) is 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one is O=C1Cc2cc(C3CSCCN3)ccc2N1.
What is the InChIKey of 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one?
The InChIKey is HZHYUBHQXYYZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-12-6-9-5-8(1-2-10(9)14-12)11-7-16-4-3-13-11/h1-2,5,11,13H,3-4,6-7H2,(H,14,15).
What are the key properties of 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one?
5-thiomorpholin-3-yl-1,3-dihydroindol-2-one has a molecular weight of 234.32 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiomorpholin-3-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82290766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).