2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid

C12H20N2O6S — CID 102885251

IUPAC2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H20N2O6S/c1-9-8-21(18,19)5-3-14(9)12(17)13-2-4-20-10(7-13)6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyFMBSJQYLCPORAP-UHFFFAOYSA-N
MW320.37 g/mol
LogP-0.60
Rot. Bonds2

About 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid

2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 102885251) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID102885251
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H20N2O6S/c1-9-8-21(18,19)5-3-14(9)12(17)13-2-4-20-10(7-13)6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyFMBSJQYLCPORAP-UHFFFAOYSA-N
XLogP-0.60
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433295
(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
CID 102885151
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 102883074
2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66433529
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid (CID 102885251) is 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid is CC1CS(=O)(=O)CCN1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is FMBSJQYLCPORAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S/c1-9-8-21(18,19)5-3-14(9)12(17)13-2-4-20-10(7-13)6-11(15)16/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 320.37 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 102885251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).