(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C12H22N2O4S — CID 120934209

IUPAC(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C12H22N2O4S/c1-8-10(3)19(16,17)7-5-14(8)12(15)11-9(2)18-6-4-13-11/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?,11+/m1/s1
InChIKeyABALZYKNDRZLCW-DJRKXVOMSA-N
MW290.39 g/mol
LogP-0.60
Rot. Bonds1

About (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone

(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120934209) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120934209
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C12H22N2O4S/c1-8-10(3)19(16,17)7-5-14(8)12(15)11-9(2)18-6-4-13-11/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?,11+/m1/s1
InChIKeyABALZYKNDRZLCW-DJRKXVOMSA-N
XLogP-0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone with MolForge

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Related Compounds

(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride
CID 119796376
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120932229
6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120933189
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 120935607
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one
CID 120918415
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120934209) is (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone is CC1C(C)S(=O)(=O)CCN1C(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is ABALZYKNDRZLCW-DJRKXVOMSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-8-10(3)19(16,17)7-5-14(8)12(15)11-9(2)18-6-4-13-11/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?,11+/m1/s1.
What are the key properties of (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 290.39 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120934209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).