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

C11H16N4O5S — CID 102885009

IUPAC2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H16N4O5S/c1-8-7-21(19,20)3-2-15(8)11(18)13-9-4-12-14(5-9)6-10(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyXTFRRVAJRGSYAL-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.38
Rot. Bonds3

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

2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 102885009) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID102885009
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H16N4O5S/c1-8-7-21(19,20)3-2-15(8)11(18)13-9-4-12-14(5-9)6-10(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyXTFRRVAJRGSYAL-UHFFFAOYSA-N
XLogP-0.38
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62330404
N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 102884982
2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 106315758
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(4,4-dimethylazepane-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65282174
2-[4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 63162069
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
2-[4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66370489

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 102885009) is 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid is CC1CS(=O)(=O)CCN1C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is XTFRRVAJRGSYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-8-7-21(19,20)3-2-15(8)11(18)13-9-4-12-14(5-9)6-10(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 316.34 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 102885009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).