2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid

C10H17NO8S2 — CID 61456599

IUPAC2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
SMILESCCOC(=O)CS(=O)(=O)N(CC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO8S2/c1-2-19-10(14)7-21(17,18)11(5-9(12)13)8-3-4-20(15,16)6-8/h8H,2-7H2,1H3,(H,12,13)
InChIKeyUSXAIVRJSJNUMH-UHFFFAOYSA-N
MW343.38 g/mol
LogP-1.55
Rot. Bonds7

About 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid

2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid (PubChem CID 61456599) has the molecular formula C10H17NO8S2 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
PubChem CID61456599
Molecular FormulaC10H17NO8S2
Molecular Weight343.38 g/mol
Exact Mass343.04
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
SMILESCCOC(=O)CS(=O)(=O)N(CC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO8S2/c1-2-19-10(14)7-21(17,18)11(5-9(12)13)8-3-4-20(15,16)6-8/h8H,2-7H2,1H3,(H,12,13)
InChIKeyUSXAIVRJSJNUMH-UHFFFAOYSA-N
XLogP-1.55
TPSA135.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324
2-[butylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 54918049
2-[(1,1-dioxothiolan-3-yl)-(trifluoromethylsulfonyl)amino]acetic acid
CID 54925507
2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 105360727
2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethylsulfamoyl)amino]acetic acid
CID 114814426
2-[[(3R)-1,1-dioxothiolan-3-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 129360384
2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid
CID 60829293
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
2-[(1,1-dioxothiolan-3-yl)-(1H-pyrazol-4-ylsulfonyl)amino]acetic acid
CID 60916766
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid
CID 63931578
ethyl 2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoacetate
CID 3720858

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid (CID 61456599) is 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid is CCOC(=O)CS(=O)(=O)N(CC(=O)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid?
The InChIKey is USXAIVRJSJNUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO8S2/c1-2-19-10(14)7-21(17,18)11(5-9(12)13)8-3-4-20(15,16)6-8/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid?
2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid has a molecular weight of 343.38 g/mol, XLogP of -1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid is sourced from PubChem (CID 61456599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).