2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid

C7H13NO6S2 — CID 61057638

IUPAC2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO6S2/c9-7(10)5-16(13,14)8-3-6-1-2-15(11,12)4-6/h6,8H,1-5H2,(H,9,10)
InChIKeyHKCDUAZNDWWSNS-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.57
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid

2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid (PubChem CID 61057638) has the molecular formula C7H13NO6S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
PubChem CID61057638
Molecular FormulaC7H13NO6S2
Molecular Weight271.32 g/mol
Exact Mass271.02
IUPAC Name2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO6S2/c9-7(10)5-16(13,14)8-3-6-1-2-15(11,12)4-6/h6,8H,1-5H2,(H,9,10)
InChIKeyHKCDUAZNDWWSNS-UHFFFAOYSA-N
XLogP-1.57
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylsulfamoyl)acetic acid
CID 28773531
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]propane-1-sulfonamide
CID 61057903
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 62131099
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide
CID 106016789
2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid
CID 80563346
2-[(1,1-dioxothian-3-yl)sulfamoyl]acetic acid
CID 63924683
5-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61057314
1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 110722896
3-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]propanoic acid
CID 62131103
4-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61057312
methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342714

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid (CID 61057638) is 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid?
The InChIKey is HKCDUAZNDWWSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO6S2/c9-7(10)5-16(13,14)8-3-6-1-2-15(11,12)4-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid?
2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 61057638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).