6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one

C13H17N3O3S — CID 43586866

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)ccc21
InChIInChI=1S/C13H17N3O3S/c1-14-12-10-3-2-9(8-11(10)15-13(12)17)16-4-6-20(18,19)7-5-16/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
InChIKeyBLMVUXKXCPEOSJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.13
Rot. Bonds2

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one

6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 43586866) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID43586866
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)ccc21
InChIInChI=1S/C13H17N3O3S/c1-14-12-10-3-2-9(8-11(10)15-13(12)17)16-4-6-20(18,19)7-5-16/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
InChIKeyBLMVUXKXCPEOSJ-UHFFFAOYSA-N
XLogP0.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 103534541
3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one
CID 66394059
6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 62936578
1-[3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 43586522
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586559
6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63597041
3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 61420962
6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 43586661
6-tert-butylsulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
CID 43586884
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
6-(3,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 64745755
6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63632477

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one (CID 43586866) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)ccc21.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is BLMVUXKXCPEOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-14-12-10-3-2-9(8-11(10)15-13(12)17)16-4-6-20(18,19)7-5-16/h2-3,8,12,14H,4-7H2,1H3,(H,15,17).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 295.36 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).