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

C10H16N2O5S — CID 64616622

IUPAC2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H16N2O5S/c13-9(14)5-8-6-12(7-8)10(15)11-1-3-18(16,17)4-2-11/h8H,1-7H2,(H,13,14)
InChIKeyXYUSKPSQCAIRIU-UHFFFAOYSA-N
MW276.31 g/mol
LogP-0.76
Rot. Bonds2

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

2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64616622) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64616622
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H16N2O5S/c13-9(14)5-8-6-12(7-8)10(15)11-1-3-18(16,17)4-2-11/h8H,1-7H2,(H,13,14)
InChIKeyXYUSKPSQCAIRIU-UHFFFAOYSA-N
XLogP-0.76
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618608
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 106670818
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-(1,4-thiazepane-4-carbonyl)azetidin-3-yl]acetic acid
CID 64616839
2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]acetic acid
CID 114411788
2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618204
2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617036
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
CID 64618080
2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79605864
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid (CID 64616622) is 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is XYUSKPSQCAIRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c13-9(14)5-8-6-12(7-8)10(15)11-1-3-18(16,17)4-2-11/h8H,1-7H2,(H,13,14).
What are the key properties of 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 276.31 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).