ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate

C10H17N5O4S — CID 60983590

IUPACethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H17N5O4S/c1-2-19-10(16)8-4-3-5-15(8)20(17,18)13-6-9-11-7-12-14-9/h7-8,13H,2-6H2,1H3,(H,11,12,14)
InChIKeyHMOLDXYYIOOGMI-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.83
Rot. Bonds6

About ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate

ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate (PubChem CID 60983590) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate
PubChem CID60983590
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Nameethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H17N5O4S/c1-2-19-10(16)8-4-3-5-15(8)20(17,18)13-6-9-11-7-12-14-9/h7-8,13H,2-6H2,1H3,(H,11,12,14)
InChIKeyHMOLDXYYIOOGMI-UHFFFAOYSA-N
XLogP-0.83
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylate
CID 60983709
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 60983708
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
ethyl 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 64590448
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 64547804
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
3-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106013521
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate (CID 60983590) is ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate?
The InChIKey is HMOLDXYYIOOGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-2-19-10(16)8-4-3-5-15(8)20(17,18)13-6-9-11-7-12-14-9/h7-8,13H,2-6H2,1H3,(H,11,12,14).
What are the key properties of ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate?
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate has a molecular weight of 303.34 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 60983590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).