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

C11H20N2O6S2 — CID 60829293

IUPAC2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid
SMILESO=C(O)CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)8-13(10-4-7-20(16,17)9-10)21(18,19)12-5-2-1-3-6-12/h10H,1-9H2,(H,14,15)
InChIKeyMRNBJCYRFWDMST-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.71
Rot. Bonds5

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

2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid (PubChem CID 60829293) has the molecular formula C11H20N2O6S2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid
PubChem CID60829293
Molecular FormulaC11H20N2O6S2
Molecular Weight340.42 g/mol
Exact Mass340.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid
SMILESO=C(O)CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)8-13(10-4-7-20(16,17)9-10)21(18,19)12-5-2-1-3-6-12/h10H,1-9H2,(H,14,15)
InChIKeyMRNBJCYRFWDMST-UHFFFAOYSA-N
XLogP-0.71
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylazepane-1-sulfonamide
CID 60542629
2-[cyclopentyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54925873
2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 105360727
2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324
2-[(1,1-dioxothiolan-3-yl)-(trifluoromethylsulfonyl)amino]acetic acid
CID 54925507
2-[butylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 54918049
3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
CID 60830000
2-[cyclopentyl(morpholin-4-ylsulfonyl)amino]acetic acid
CID 54925872
2-[(1,1-dioxothiolan-3-yl)-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65059016
2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61456599
2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethylsulfamoyl)amino]acetic acid
CID 114814426
N-(1,1-dioxothiolan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113140500

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid (CID 60829293) is 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid is O=C(O)CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid?
The InChIKey is MRNBJCYRFWDMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S2/c14-11(15)8-13(10-4-7-20(16,17)9-10)21(18,19)12-5-2-1-3-6-12/h10H,1-9H2,(H,14,15).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid?
2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid has a molecular weight of 340.42 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid is sourced from PubChem (CID 60829293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).