3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one

C12H14ClN3O3S — CID 79349712

IUPAC3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)c(Cl)cc21
InChIInChI=1S/C12H14ClN3O3S/c13-8-5-7-9(15-12(17)11(7)14)6-10(8)16-1-3-20(18,19)4-2-16/h5-6,11H,1-4,14H2,(H,15,17)
InChIKeyONALSVWQGWPAQV-UHFFFAOYSA-N
MW315.78 g/mol
LogP0.53
Rot. Bonds1

About 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one (PubChem CID 79349712) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one
PubChem CID79349712
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)c(Cl)cc21
InChIInChI=1S/C12H14ClN3O3S/c13-8-5-7-9(15-12(17)11(7)14)6-10(8)16-1-3-20(18,19)4-2-16/h5-6,11H,1-4,14H2,(H,15,17)
InChIKeyONALSVWQGWPAQV-UHFFFAOYSA-N
XLogP0.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 81097444
3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 79348753
3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 112625997
3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79349803
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
3-amino-5-bromo-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79342791
5-chloro-3-hydroxy-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79336135
3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 114593690
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
5-chloro-6-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 107456625
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 103498520
3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one
CID 79349829

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one (CID 79349712) is 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is ONALSVWQGWPAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c13-8-5-7-9(15-12(17)11(7)14)6-10(8)16-1-3-20(18,19)4-2-16/h5-6,11H,1-4,14H2,(H,15,17).
What are the key properties of 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 315.78 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).