methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate

C7H13NO6S2 — CID 43624219

IUPACmethyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO6S2/c1-14-7(9)4-8-16(12,13)6-2-3-15(10,11)5-6/h6,8H,2-5H2,1H3
InChIKeyGOSJKKSDZDEUOJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.73
Rot. Bonds4

About methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate

methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate (PubChem CID 43624219) has the molecular formula C7H13NO6S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
PubChem CID43624219
Molecular FormulaC7H13NO6S2
Molecular Weight271.32 g/mol
Exact Mass271.02
IUPAC Namemethyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO6S2/c1-14-7(9)4-8-16(12,13)6-2-3-15(10,11)5-6/h6,8H,2-5H2,1H3
InChIKeyGOSJKKSDZDEUOJ-UHFFFAOYSA-N
XLogP-1.73
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfonylacetate
CID 7361246
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173824
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate
CID 55005731
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
CID 107776619
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003745
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpentanoate
CID 43624453
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006725

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate (CID 43624219) is methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate?
The InChIKey is GOSJKKSDZDEUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO6S2/c1-14-7(9)4-8-16(12,13)6-2-3-15(10,11)5-6/h6,8H,2-5H2,1H3.
What are the key properties of methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate?
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate has a molecular weight of 271.32 g/mol, XLogP of -1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate is sourced from PubChem (CID 43624219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).