(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone

C14H16N2O3S — CID 71879331

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
SMILESCn1ccc2c(C(=O)N3CCS(=O)(=O)CC3)cccc21
InChIInChI=1S/C14H16N2O3S/c1-15-6-5-11-12(3-2-4-13(11)15)14(17)16-7-9-20(18,19)10-8-16/h2-6H,7-10H2,1H3
InChIKeyDLQSZVCYAQYKEA-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.05
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone (PubChem CID 71879331) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
PubChem CID71879331
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
SMILESCn1ccc2c(C(=O)N3CCS(=O)(=O)CC3)cccc21
InChIInChI=1S/C14H16N2O3S/c1-15-6-5-11-12(3-2-4-13(11)15)14(17)16-7-9-20(18,19)10-8-16/h2-6H,7-10H2,1H3
InChIKeyDLQSZVCYAQYKEA-UHFFFAOYSA-N
XLogP1.05
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-isopropylpiperazin-1-yl)(1-(methylsulfonyl)-3-(piperidin-1-ylmethyl)-1H-indol-6-yl)methanone
CID 25062200
(9-pentyl-9H-carbazol-3-yl)(1,1-dioxo-thiomorpholino)methanone
CID 56651352
US10189838, Example 1-1
CID 86292718
1-Methyl-N-(methylsulfonyl)-3-phenyl-1H-indole-6-carboxamide
CID 132020408
US10550080, Example 30
CID 132020468
US10550080, Example 31
CID 132020475
1-Methyl-N-(methylsulfonyl)-3-(m-tolyl)-1H-indole-6-carboxamide
CID 132020512
US10550080, Example 1
CID 132020518
N-cyclopropylsulfonyl-3-[4-(difluoromethyl)phenyl]-5-fluoro-1-methylindole-6-carboxamide
CID 132020526
US10550080, Example 18
CID 132020544
US10550080, Example 17
CID 132020589
1-Methyl-N-(methylsulfonyl)-3-(p-tolyl)-1H-indole-6-carboxamide
CID 132051461

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone (CID 71879331) is (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone is Cn1ccc2c(C(=O)N3CCS(=O)(=O)CC3)cccc21.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone?
The InChIKey is DLQSZVCYAQYKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-15-6-5-11-12(3-2-4-13(11)15)14(17)16-7-9-20(18,19)10-8-16/h2-6H,7-10H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone has a molecular weight of 292.36 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone is sourced from PubChem (CID 71879331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).