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

C11H20N2O6S2 — CID 81043349

IUPAC1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC2CCCS2(=O)=O)C1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)9-3-1-5-13(8-9)21(18,19)12-7-10-4-2-6-20(10,16)17/h9-10,12H,1-8H2,(H,14,15)
InChIKeyXSRAGKCMKXOIRI-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.81
Rot. Bonds5

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

1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 81043349) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID81043349
Molecular FormulaC11H20N2O6S2
Molecular Weight340.42 g/mol
Exact Mass340.08
IUPAC Name1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC2CCCS2(=O)=O)C1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)9-3-1-5-13(8-9)21(18,19)12-7-10-4-2-6-20(10,16)17/h9-10,12H,1-8H2,(H,14,15)
InChIKeyXSRAGKCMKXOIRI-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-4-carboxylic acid
CID 81043165
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
CID 61403789
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid (CID 81043349) is 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCC2CCCS2(=O)=O)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is XSRAGKCMKXOIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S2/c14-11(15)9-3-1-5-13(8-9)21(18,19)12-7-10-4-2-6-20(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-3-carboxylic acid?
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 81043349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).