methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate

C11H19N5O4S — CID 64530501

IUPACmethyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCCc2ncn[nH]2)CC1
InChIInChI=1S/C11H19N5O4S/c1-20-11(17)9-3-6-16(7-4-9)21(18,19)14-5-2-10-12-8-13-15-10/h8-9,14H,2-7H2,1H3,(H,12,13,15)
InChIKeyQGZNFDFSSUPQDG-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.93
Rot. Bonds6

About methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate

methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate (PubChem CID 64530501) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate
PubChem CID64530501
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Namemethyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCCc2ncn[nH]2)CC1
InChIInChI=1S/C11H19N5O4S/c1-20-11(17)9-3-6-16(7-4-9)21(18,19)14-5-2-10-12-8-13-15-10/h8-9,14H,2-7H2,1H3,(H,12,13,15)
InChIKeyQGZNFDFSSUPQDG-UHFFFAOYSA-N
XLogP-0.93
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate (CID 64530501) is methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NCCc2ncn[nH]2)CC1.
What is the InChIKey of methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate?
The InChIKey is QGZNFDFSSUPQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-20-11(17)9-3-6-16(7-4-9)21(18,19)14-5-2-10-12-8-13-15-10/h8-9,14H,2-7H2,1H3,(H,12,13,15).
What are the key properties of methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate?
methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate has a molecular weight of 317.37 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 64530501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).