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

C11H19N5O4S — CID 60983708

IUPACethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NCc2ncn[nH]2)CC1
InChIInChI=1S/C11H19N5O4S/c1-2-20-11(17)9-3-5-16(6-4-9)21(18,19)14-7-10-12-8-13-15-10/h8-9,14H,2-7H2,1H3,(H,12,13,15)
InChIKeyGRUJXNBAJRBPEO-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.59
Rot. Bonds6

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

ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate (PubChem CID 60983708) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
PubChem CID60983708
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Nameethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NCc2ncn[nH]2)CC1
InChIInChI=1S/C11H19N5O4S/c1-2-20-11(17)9-3-5-16(6-4-9)21(18,19)14-7-10-12-8-13-15-10/h8-9,14H,2-7H2,1H3,(H,12,13,15)
InChIKeyGRUJXNBAJRBPEO-UHFFFAOYSA-N
XLogP-0.59
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 ≤ 5-0.59
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)pyrrolidine-2-carboxylate
CID 60983590
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077
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
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944
ethyl 1-[2-(2-hydroxyethoxy)ethylsulfamoyl]piperidine-4-carboxylate
CID 62498446
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate (CID 60983708) is ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)NCc2ncn[nH]2)CC1.
What is the InChIKey of ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is GRUJXNBAJRBPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-2-20-11(17)9-3-5-16(6-4-9)21(18,19)14-7-10-12-8-13-15-10/h8-9,14H,2-7H2,1H3,(H,12,13,15).
What are the key properties of ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate?
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 317.37 g/mol, XLogP of -0.59, 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)piperidine-4-carboxylate is sourced from PubChem (CID 60983708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).