1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid

C11H20N2O6S2 — CID 81043165

IUPAC1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCC2CCCS2(=O)=O)CC1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)9-3-5-13(6-4-9)21(18,19)12-8-10-2-1-7-20(10,16)17/h9-10,12H,1-8H2,(H,14,15)
InChIKeyUHNUIXVLDJGPFR-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.81
Rot. Bonds5

About 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid

1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid (PubChem CID 81043165) has the molecular formula C11H20N2O6S2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
PubChem CID81043165
Molecular FormulaC11H20N2O6S2
Molecular Weight340.42 g/mol
Exact Mass340.08
IUPAC Name1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCC2CCCS2(=O)=O)CC1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)9-3-5-13(6-4-9)21(18,19)12-8-10-2-1-7-20(10,16)17/h9-10,12H,1-8H2,(H,14,15)
InChIKeyUHNUIXVLDJGPFR-UHFFFAOYSA-N
XLogP-0.81
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 81043349
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid
CID 81039371
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 54937723
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid (CID 81043165) is 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NCC2CCCS2(=O)=O)CC1.
What is the InChIKey of 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is UHNUIXVLDJGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S2/c14-11(15)9-3-5-13(6-4-9)21(18,19)12-8-10-2-1-7-20(10,16)17/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 81043165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).