1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid

C11H18N4O5S — CID 106414979

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid
SMILESCc1noc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C11H18N4O5S/c1-8-13-10(20-14-8)2-5-12-21(18,19)15-6-3-9(4-7-15)11(16)17/h9,12H,2-7H2,1H3,(H,16,17)
InChIKeyUNDSBSPEQADZHB-UHFFFAOYSA-N
MW318.36 g/mol
LogP-0.45
Rot. Bonds6

About 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid (PubChem CID 106414979) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid
PubChem CID106414979
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid
SMILESCc1noc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C11H18N4O5S/c1-8-13-10(20-14-8)2-5-12-21(18,19)15-6-3-9(4-7-15)11(16)17/h9,12H,2-7H2,1H3,(H,16,17)
InChIKeyUNDSBSPEQADZHB-UHFFFAOYSA-N
XLogP-0.45
TPSA125.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60913226
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873038
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 106415171
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 146123022
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117
methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
CID 43431164
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid (CID 106414979) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid is Cc1noc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is UNDSBSPEQADZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-8-13-10(20-14-8)2-5-12-21(18,19)15-6-3-9(4-7-15)11(16)17/h9,12H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 318.36 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106414979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).