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

C8H15NO6S2 — CID 81039371

IUPAC3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C8H15NO6S2/c10-8(11)3-5-17(14,15)9-6-7-2-1-4-16(7,12)13/h7,9H,1-6H2,(H,10,11)
InChIKeyYONLJBIXEAHPQV-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.04
Rot. Bonds6

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

3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid (PubChem CID 81039371) has the molecular formula C8H15NO6S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid
PubChem CID81039371
Molecular FormulaC8H15NO6S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC Name3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C8H15NO6S2/c10-8(11)3-5-17(14,15)9-6-7-2-1-4-16(7,12)13/h7,9H,1-6H2,(H,10,11)
InChIKeyYONLJBIXEAHPQV-UHFFFAOYSA-N
XLogP-1.04
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclobutylmethylsulfamoyl)propanoic acid
CID 43298604
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 81043165
methyl 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl-methylamino]propanoate
CID 81039043
3-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]propanoic acid
CID 60855399
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 81043349
4-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81039629
2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide
CID 114385112
5-bromo-4-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 81042695
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
N-[(1,1-dioxothiolan-2-yl)methyl]-2-sulfanylacetamide
CID 81046326

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid (CID 81039371) is 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid?
The InChIKey is YONLJBIXEAHPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S2/c10-8(11)3-5-17(14,15)9-6-7-2-1-4-16(7,12)13/h7,9H,1-6H2,(H,10,11).
What are the key properties of 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid?
3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 81039371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).