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

C11H20N2O6S2 — CID 61058863

IUPAC1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)10-2-1-4-13(7-10)21(18,19)12-6-9-3-5-20(16,17)8-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyDWUMHAVEVXRVTH-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.95
Rot. Bonds5

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

1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 61058863) has the molecular formula C11H20N2O6S2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID61058863
Molecular FormulaC11H20N2O6S2
Molecular Weight340.42 g/mol
Exact Mass340.08
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H20N2O6S2/c14-11(15)10-2-1-4-13(7-10)21(18,19)12-6-9-3-5-20(16,17)8-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyDWUMHAVEVXRVTH-UHFFFAOYSA-N
XLogP-0.95
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 ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-Propylsulfonylpiperidine-3-carboxylic acid
CID 68054664
3-Pentylsulfonylpiperidine-3-carboxylic acid
CID 69392509
Acetic acid;5-sulfamoylpiperidine-3-carboxylic acid
CID 134541678
5-Sulfamoylpiperidine-3-carboxylic acid
CID 134541679
1-(Thian-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 172500690
1-[2-(Butan-2-ylamino)ethylsulfonyl]piperidine-3-carboxylic acid
CID 174164588
1-[2-(Propan-2-ylamino)ethylsulfonyl]piperidine-3-carboxylic acid
CID 174164589
1-(1,1-Dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
1-(1,1-Dioxothiolane-3-carbonyl)piperidine-3-carboxylic acid
CID 43355856
1-[2-(1,1-Dioxothiolan-3-yl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 43355924
1-(1,1-Dioxothiolan-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 43361308
1-[2-(3-Amino-3-oxopropyl)sulfonylethyl]piperidine-3-carboxylic acid
CID 43440863

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid (CID 61058863) is 1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCC2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is DWUMHAVEVXRVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S2/c14-11(15)10-2-1-4-13(7-10)21(18,19)12-6-9-3-5-20(16,17)8-9/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
1-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of -0.95, 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-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61058863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).