(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride

C11H21ClN2O4S — CID 119796376

IUPAC(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)C1COCCN1.Cl
InChIInChI=1S/C11H20N2O4S.ClH/c1-8-9(2)18(15,16)6-4-13(8)11(14)10-7-17-5-3-12-10;/h8-10,12H,3-7H2,1-2H3;1H
InChIKeyOFKAVTLFGKCUAC-UHFFFAOYSA-N
MW312.82 g/mol
LogP-0.57
Rot. Bonds1

About (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride

(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride (PubChem CID 119796376) has the molecular formula C11H21ClN2O4S and a molecular weight of 312.82 g/mol. Its IUPAC name is (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride
PubChem CID119796376
Molecular FormulaC11H21ClN2O4S
Molecular Weight312.82 g/mol
Exact Mass312.09
IUPAC Name(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)C1COCCN1.Cl
InChIInChI=1S/C11H20N2O4S.ClH/c1-8-9(2)18(15,16)6-4-13(8)11(14)10-7-17-5-3-12-10;/h8-10,12H,3-7H2,1-2H3;1H
InChIKeyOFKAVTLFGKCUAC-UHFFFAOYSA-N
XLogP-0.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride with MolForge

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Related Compounds

(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120934209
[(2R)-2-methylpiperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 96998627
2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid
CID 106742878
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119806905
(2,2-dimethylmorpholin-4-yl)-morpholin-3-ylmethanone;hydrochloride
CID 119732358
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-morpholin-3-ylmethanone
CID 79937946
(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 119796383
2-azaspiro[4.5]decan-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119805300
(2,2-dimethylazetidin-1-yl)-[(3R)-morpholin-3-yl]methanone
CID 130747772
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
(3S)-morpholine-3-carboxylic acid;hydrochloride
CID 42614332

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride?
The IUPAC name of (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride (CID 119796376) is (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride?
The canonical SMILES for (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride is CC1C(C)S(=O)(=O)CCN1C(=O)C1COCCN1.Cl.
What is the InChIKey of (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride?
The InChIKey is OFKAVTLFGKCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S.ClH/c1-8-9(2)18(15,16)6-4-13(8)11(14)10-7-17-5-3-12-10;/h8-10,12H,3-7H2,1-2H3;1H.
What are the key properties of (2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride?
(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of -0.57, 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)-morpholin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119796376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).